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Search results for: '4949-44-4'
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Triflumuron solution
Cas Number: 64628-44-0 EC Number: 264-980-3Formula: C15H10ClF3N2O3Molecular weight: 358.7Synonyms: Triflumuron|64628-44-0|Trifluron|Triflumuron [ISO]|SIR 8514|2-Chloro-N-(((4-(trifluoromethoxy)phenyl...SMILES: C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)ClInChIKey: XAIPTRIXGHTTNT-UHFFFAOYSA-NInChI: InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)
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tert-butyl N-(4-hydroxynorbornan-1-yl)carbamate
Cas Number: 2231676-44-9Formula: C12H21NO3Molecular weight: 227.3Synonyms: 2231676-44-9 | tert-butyl N-{4-hydroxybicyclo[2.2.1]heptan-1-yl}carbamate | tert-Butyl (4-hydroxybic...SMILES: CC(C)(C)OC(=O)NC12CCC(C1)(CC2)OInChIKey: KZEBRQOBRHLNKX-UHFFFAOYSA-NInChI: InChI=1S/C12H21NO3/c1-10(2,3)16-9(14)13-11-4-6-12(15,8-11)7-5-11/h15H,4-8H2,1-3H3,(H,13,14)
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Donafenib (Sorafenib D3)
Cas Number: 1130115-44-4Formula: C21H13D3ClF3N4O3Molecular weight: 467.84Synonyms: Sorafenib-d3|Donafenib|1130115-44-4|CM-4307|41XGO0VS1U|4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)a...SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)FInChIKey: MLDQJTXFUGDVEO-FIBGUPNXSA-NInChI: InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i1D3
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3-Chloro-4-methoxytoluene
Cas Number: 22002-44-4Formula: C8H9ClOMolecular weight: 156.61Synonyms: 3-Chloro-4-methoxytoluene|22002-44-4|2-Chloro-1-methoxy-4-methylbenzene|2-Chloro-4-methylanisole|Ben...SMILES: CC1=CC(=C(C=C1)OC)ClInChIKey: VUZBRBKYGIQXMP-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3
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1,3,7,8-Tetrachlorodibenzo-P-dioxin
Cas Number: 50585-46-1Formula: C12H4Cl4O2Molecular weight: 322Synonyms: 1,3,7,8-TETRACHLORODIBENZO-P-DIOXIN | 1,3,7,8-Tetrachlorodibenzodioxin | Dibenzo-p-dioxin, 1,3,7,8-t...SMILES: C1=C(C=C(C2=C1OC3=CC(=C(C=C3O2)Cl)Cl)Cl)ClInChIKey: VPTDIAYLYJBYQG-UHFFFAOYSA-NInChI: InChI=1S/C12H4Cl4O2/c13-5-1-8(16)12-11(2-5)17-9-3-6(14)7(15)4-10(9)18-12/h1-4H
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3-(5-Bromo-2-chloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole
Cas Number: 1624262-44-7Formula: C18H11BrClN3O2SMolecular weight: 448.72Synonyms: 1624262-44-7|3-(5-Bromo-2-chloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole|1-(BENZENESULFONYL)-3-(...SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=NC(=NC=C4Br)ClInChIKey: ATOBJZOVMPIWCJ-UHFFFAOYSA-NInChI: InChI=1S/C18H11BrClN3O2S/c19-15-10-21-18(20)22-17(15)14-11-23(16-9-5-4-8-13(14)16)26(24,25)12-6-2-1-3-7-12/h1-11H
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1,3,5-Tris[4-(bromomethyl)phenyl]benzene
Cas Number: 42837-44-5Formula: C27H21Br3Molecular weight: 585.168Synonyms: 42837-44-5|1,3,5-tris[4-(bromomethyl)phenyl]benzene|4,4''-Bis(bromomethyl)-5'-(4-(bromomethyl)phenyl...SMILES: C1=CC(=CC=C1CBr)C2=CC(=CC(=C2)C3=CC=C(C=C3)CBr)C4=CC=C(C=C4)CBrInChIKey: OMSHYLJZYDPPHE-UHFFFAOYSA-NInChI: InChI=1S/C27H21Br3/c28-16-19-1-7-22(8-2-19)25-13-26(23-9-3-20(17-29)4-10-23)15-27(14-25)24-11-5-21(18-30)6-12-24/h1-15H,16-18H2
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tert-butyl 4-(2-ethoxy-2-oxo-ethyl)-4-methyl-piperidine-1-carboxylate
Cas Number: 1772585-44-0Formula: C15H27NO4Molecular weight: 285.38Synonyms: Ethyl 1-Boc-4-methyl-4-piperidineacetate | 1772585-44-0 | tert-butyl 4-(2-ethoxy-2-oxoethyl)-4-methy...SMILES: CCOC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)CInChIKey: GUFLBBRAKJDKNT-UHFFFAOYSA-NInChI: InChI=1S/C15H27NO4/c1-6-19-12(17)11-15(5)7-9-16(10-8-15)13(18)20-14(2,3)4/h6-11H2,1-5H3
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CK869
Cas Number: 388592-44-7Formula: C17H16BrNO3SMolecular weight: 394.28Synonyms: 388592-44-7|CK-869|CK 869|2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one|2-(3-Bromo...SMILES: COC1=CC(=C(C=C1)N2C(SCC2=O)C3=CC(=CC=C3)Br)OCInChIKey: MVWNPZYLNLATCH-UHFFFAOYSA-NInChI: InChI=1S/C17H16BrNO3S/c1-21-13-6-7-14(15(9-13)22-2)19-16(20)10-23-17(19)11-4-3-5-12(18)8-11/h3-9,17H,10H2,1-2H3
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Sodium dodecylbenzenesulfonate
Cas Number: 25155-30-0 EC Number: 246-680-4Formula: C18H29NaO3SMolecular weight: 348.48Synonyms: 69669-44-9|sodium;4-dodecan-3-ylbenzenesulfonate|2212-50-2|NCGC00164362-01|DSSTox_CID_5219|DSSTox_RI...
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N-(4-Pyridyl)thiourea
Cas Number: 164670-44-4Formula: C6H7N3SMolecular weight: 153.2Synonyms: 4-Pyridylthiourea|164670-44-4|1-(Pyridin-4-yl)thiourea|pyridin-4-ylthiourea|N-(4-Pyridyl)thiourea|1-...SMILES: C1=CN=CC=C1NC(=S)NInChIKey: HLOFIQOOOSRNFY-UHFFFAOYSA-NInChI: InChI=1S/C6H7N3S/c7-6(10)9-5-1-3-8-4-2-5/h1-4H,(H3,7,8,9,10)
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Methyl 2-chloro-4-hydroxybenzoate
Cas Number: 104253-44-3Formula: C8H7ClO3Molecular weight: 186.59Synonyms: Methyl 2-chloro-4-hydroxybenzoate|104253-44-3|2-Chloro-4-hydroxy-benzoic acid methyl ester|2-chloro-...SMILES: COC(=O)C1=C(C=C(C=C1)O)ClInChIKey: BJZFMXJQJZUATE-UHFFFAOYSA-NInChI: InChI=1S/C8H7ClO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,1H3
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4-[2-Amino-4-Methyl-3-(2-Methylquinolin-6-Yl)benzoyl]-1-Methyl-2,5-Diphenyl-1,2-Dihydro-3h-Pyrazol-3-One
Formula: C34H28N4O2Molecular weight: 524.6Synonyms: 4-[2-Amino-4-Methyl-3-(2-Methylquinolin-6-Yl)benzoyl]-1-Methyl-2,5-Diphenyl-1,2-Dihydro-3h-Pyrazol-3...SMILES: CC1=C(C(=C(C=C1)C(=O)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4)N)C5=CC6=C(C=C5)N=C(C=C6)CInChIKey: YPPSMYLMSKHYAY-UHFFFAOYSA-NInChI: InChI=1S/C34H28N4O2/c1-21-14-18-27(31(35)29(21)25-17-19-28-24(20-25)16-15-22(2)36-28)33(39)30-32(23-10-6-4-7-11-23)37(3)38(34(30)40)26-12-8-5-9-13-26/h4-20H,35H2,1-3H3
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(3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate
Cas Number: 99314-44-0Formula: C12H16O4SMolecular weight: 256.32Synonyms: 99314-44-0|(3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate|(3-methyl-3-oxetanyl)methyl 4-methyl...SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2(COC2)CInChIKey: PZOQQSOZRVZCMC-UHFFFAOYSA-NInChI: InChI=1S/C12H16O4S/c1-10-3-5-11(6-4-10)17(13,14)16-9-12(2)7-15-8-12/h3-6H,7-9H2,1-2H3
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2-(2-Bromo-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)propane
Cas Number: 1482416-44-3Formula: C7BrF15O2Molecular weight: 480.96Synonyms: AKOS025212363 | 1482416-44-3 | AS-82514 | 1-Bromoperfluoro(4-methyl-3,6-dioxaoctane) | T70306 | 2-(2...SMILES: C(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)(OC(C(F)(F)Br)(F)F)FInChIKey: CGHGTHHVJHGUNI-UHFFFAOYSA-NInChI: InChI=1S/C7BrF15O2/c8-2(10,11)6(20,21)24-1(9,3(12,13)14)5(18,19)25-7(22,23)4(15,16)17
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2-Fluoro-6-(pyrrolidin-1-yl)isonicotinaldehyde
Cas Number: 1228666-44-1Formula: C10H11FN2OMolecular weight: 194.2Synonyms: 2-Fluoro-6-(pyrrolidin-1-yl)isonicotinaldehyde|1228666-44-1|2-fluoro-6-pyrrolidin-1-ylpyridine-4-car...SMILES: C1CCN(C1)C2=NC(=CC(=C2)C=O)FInChIKey: QRFXSOBPZHNTNH-UHFFFAOYSA-NInChI: InChI=1S/C10H11FN2O/c11-9-5-8(7-14)6-10(12-9)13-3-1-2-4-13/h5-7H,1-4H2
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tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
Synonyms: tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate|373604-28-5|1-Boc-3-fluoro-4-hydroxypiperidine...SMILES: CC(C)(C)OC(=O)N1CCC(C(C1)F)OInChIKey: XRNLYXKYODGLMI-UHFFFAOYSA-NInChI: InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6H2,1-3H3
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2-Bromo-4-chloro-1-iodobenzene
Cas Number: 31928-44-6Formula: C6H3BrClIMolecular weight: 317.36Synonyms: 2-BROMO-4-CHLORO-1-IODOBENZENE|31928-44-6|2-Bromo-4-chloroiodobenzene|MFCD00672944|BENZENE, 2-BROMO-...SMILES: C1=CC(=C(C=C1Cl)Br)IInChIKey: CXHXFDQEFKFYQJ-UHFFFAOYSA-NInChI: InChI=1S/C6H3BrClI/c7-5-3-4(8)1-2-6(5)9/h1-3H
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2,3,3',4',5,6-Hexachlorobiphenyl
Cas Number: 74472-44-9Formula: C12H4Cl6Molecular weight: 360.88Synonyms: 2,3,3',4',5,6-Hexachlorobiphenyl|74472-44-9|PCB 163|2,3,3',4',5,6-Hexachloro-1,1'-biphenyl|G54FDS4BN...SMILES: C1=CC(=C(C=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)ClInChIKey: ZAGRQXMWMRUYRB-UHFFFAOYSA-NInChI: InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-11(17)8(15)4-9(16)12(10)18/h1-4H
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WAY-605632
Cas Number: 53532-44-8Formula: C11H11ClN4OSMolecular weight: 282.75Synonyms: 1-(4-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea|53532-44-8|CBMicro_006320|Oprea1_209448|MLS...SMILES: CCC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)ClInChIKey: WZAGORKCQNEQAY-UHFFFAOYSA-NInChI: InChI=1S/C11H11ClN4OS/c1-2-9-15-16-11(18-9)14-10(17)13-8-5-3-7(12)4-6-8/h3-6H,2H2,1H3,(H2,13,14,16,17)
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4-(N,N-Diethylaminomethyl)phenylboronic acid, pinacol ester
Cas Number: 1012785-44-2Formula: C17H28BNO2Molecular weight: 289.2Synonyms: 1012785-44-2|N-Ethyl-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine|4-(N,N-Diet...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN(CC)CCInChIKey: VPXPXAUWTQPYDA-UHFFFAOYSA-NInChI: InChI=1S/C17H28BNO2/c1-7-19(8-2)13-14-9-11-15(12-10-14)18-20-16(3,4)17(5,6)21-18/h9-12H,7-8,13H2,1-6H3
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3-iodo-1h-pyrazole-4-carbonitrile
Cas Number: 827316-44-9Formula: C4H2IN3Molecular weight: 218.9833Synonyms: 3-Iodo-1H-pyrazole-4-carbonitrile|827316-44-9|5-iodo-1H-pyrazole-4-carbonitrile|SCHEMBL5754828|DTXSI...SMILES: C1=NNC(=C1C#N)IInChIKey: JEISIEQLHQZCOF-UHFFFAOYSA-NInChI: InChI=1S/C4H2IN3/c5-4-3(1-6)2-7-8-4/h2H,(H,7,8)
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Raloxifene-d4
Cas Number: 1185076-44-1Formula: C28H23D4NO4SMolecular weight: 477.61Synonyms: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(1,1,2,2-tetradeuterio-2-piperidin-1-ylethox...SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OInChIKey: GZUITABIAKMVPG-RZOBCMOLSA-NInChI: InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2/i16D2,17D2
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Ethyl 5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylate
Cas Number: 1223748-44-4Formula: C10H14N2O2Molecular weight: 194.2Synonyms: ethyl 5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylate|1223748-44-4|ethyl 5-cyclopropyl-1-methylpyra...SMILES: CCOC(=O)C1=NN(C(=C1)C2CC2)CInChIKey: KLXROKKUWNRMEO-UHFFFAOYSA-NInChI: InChI=1S/C10H14N2O2/c1-3-14-10(13)8-6-9(7-4-5-7)12(2)11-8/h6-7H,3-5H2,1-2H3
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