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Search results for: '97005-76-0'
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4,4'-(Perfluoropropane-2,2-diyl)diphthalic acid
Cas Number: 3016-76-0Formula: C19H10F6O8Molecular weight: 480.28Synonyms: 3016-76-0|4,4'-(Perfluoropropane-2,2-diyl)diphthalic acid|4,4'-(HEXAFLUOROISOPROPYLIDENE)DIPHTHALIC ...SMILES: C1=CC(=C(C=C1C(C2=CC(=C(C=C2)C(=O)O)C(=O)O)(C(F)(F)F)C(F)(F)F)C(=O)O)C(=O)OInChIKey: APXJLYIVOFARRM-UHFFFAOYSA-NInChI: InChI=1S/C19H10F6O8/c20-18(21,22)17(19(23,24)25,7-1-3-9(13(26)27)11(5-7)15(30)31)8-2-4-10(14(28)29)12(6-8)16(32)33/h1-6H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)
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Ethyl 2-(4-iodoanilino)acetate
Cas Number: 14108-76-0Formula: C10H12INO2Molecular weight: 305.1Synonyms: ethyl 2-(4-iodoanilino)acetate|14108-76-0|Ethyl [(4-iodophenyl)amino]acetate|ethyl n-(4-iodophenyl)g...SMILES: CCOC(=O)CNC1=CC=C(C=C1)IInChIKey: VEMDCCDETKYAEB-UHFFFAOYSA-NInChI: InChI=1S/C10H12INO2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3
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Flibanserin Hydrochloride
Cas Number: 147359-76-0Formula: C20H22ClF3N4OMolecular weight: 426.86Synonyms: Flibanserin hydrochloride|147359-76-0|Flibanserin HCl|Flibaserin|Flibanserin hydrochloride [MI]|Flib...SMILES: C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C(F)(F)F.ClInChIKey: XGAGFLQFMFCIHZ-UHFFFAOYSA-NInChI: InChI=1S/C20H21F3N4O.ClH/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28;/h1-7,14H,8-13H2,(H,24,28);1H
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5-(Bromomethyl)pyrimidine hydrobromide
Cas Number: 93224-07-8Formula: C5H6Br2N2Molecular weight: 253.92Synonyms: 5-(Bromomethyl)pyrimidine hydrobromide|93224-07-8|126230-76-0|5-(bromomethyl)pyrimidine;hydrobromide...SMILES: C1=C(C=NC=N1)CBr.BrInChIKey: SRWNFVXTQYUWLE-UHFFFAOYSA-NInChI: InChI=1S/C5H5BrN2.BrH/c6-1-5-2-7-4-8-3-5;/h2-4H,1H2;1H
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N-(4-Methoxybenzyl)-1,3-propanesultam
Cas Number: 158089-76-0Formula: C11H15NO3SMolecular weight: 241.3Synonyms: 158089-76-0|2-(4-Methoxybenzyl)isothiazolidine 1,1-dioxide|N-(4-Methoxybenzyl)-1,3-propanesultam|2-[...SMILES: COC1=CC=C(C=C1)CN2CCCS2(=O)=OInChIKey: YINIRYHLSTVCHU-UHFFFAOYSA-NInChI: InChI=1S/C11H15NO3S/c1-15-11-5-3-10(4-6-11)9-12-7-2-8-16(12,13)14/h3-6H,2,7-9H2,1H3
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5-Bromo-3-chloro-2-fluorobenzonitrile
Cas Number: 1000577-76-3Formula: C7H2BrClFNMolecular weight: 234.45Synonyms: 5-bromo-3-chloro-2-fluoroBenzonitrile|1000577-76-3|3-Bromo-5-chloro-6-fluorobenzonitrile|MFCD0980081...SMILES: C1=C(C=C(C(=C1C#N)F)Cl)BrInChIKey: CFAJQDDAWJDDIX-UHFFFAOYSA-NInChI: InChI=1S/C7H2BrClFN/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H
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4-bromo-2-[(trans-4-hydroxycyclohexyl)amino]benzonitrile
Cas Number: 1008520-76-0Formula: C13H15N2OBrMolecular weight: 295.17Synonyms: 1008520-76-0 | 4-Bromo-2-[(trans-4-hydroxycyclohexyl)amino]benzonitrile | 4-Bromo-2-(4-hydroxy-cyclo...SMILES: C1CC(CCC1NC2=C(C=CC(=C2)Br)C#N)OInChIKey: HQXDNHAPIBIGKT-UHFFFAOYSA-NInChI: InChI=1S/C13H15BrN2O/c14-10-2-1-9(8-15)13(7-10)16-11-3-5-12(17)6-4-11/h1-2,7,11-12,16-17H,3-6H2
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N-[(1S,2S)-2-Amino-1,2-diphenylethyl]methanesulfonamide
Cas Number: 300345-76-0Formula: C15H18N2O2SMolecular weight: 290.4Synonyms: 300345-76-0|N-((1S,2S)-2-Amino-1,2-diphenylethyl)methanesulfonamide|N-[(1S,2S)-2-amino-1,2-diphenyle...SMILES: CS(=O)(=O)NC(C1=CC=CC=C1)C(C2=CC=CC=C2)NInChIKey: FSRRNSLQEDUDTP-GJZGRUSLSA-NInChI: InChI=1S/C15H18N2O2S/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-15,17H,16H2,1H3/t14-,15-/m0/s1
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Sodium oxalate
Formula: C2Na2O4Molecular weight: 134Synonyms: Sodium oxalate|62-76-0|Disodium oxalate|Natriumoxalat|Ethanedioic acid, disodium salt|Oxalic acid di...SMILES: C(=O)(C(=O)[O-])[O-].[Na+].[Na+]InChIKey: ZNCPFRVNHGOPAG-UHFFFAOYSA-LInChI: InChI=1S/C2H2O4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2
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tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate
Cas Number: 1466514-76-0Formula: C9H15F2NO2Molecular weight: 207.22Synonyms: tert-Butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate | 1466514-76-0 | SCHEMBL15335051 | MFCD2...SMILES: CC(C)(C)OC(=O)N1CC(C1)(CF)FInChIKey: LIRXHHZHOTUWNP-UHFFFAOYSA-NInChI: InChI=1S/C9H15F2NO2/c1-8(2,3)14-7(13)12-5-9(11,4-10)6-12/h4-6H2,1-3H3
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2-bromodibenzofuran
Cas Number: 86-76-0Formula: C12H7BrOMolecular weight: 247.087Synonyms: 2-Bromodibenzo[b,d]furan|86-76-0|2-BROMODIBENZOFURAN|2-BROMO-DIBENZOFURAN|Dibenzofuran, 2-bromo-|C36...SMILES: C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)BrInChIKey: CRJISNQTZDMKQD-UHFFFAOYSA-NInChI: InChI=1S/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
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Tetrahydrothiophene-3-ol 1,1-dioxide
Cas Number: 13031-76-0Formula: C4H8O3SMolecular weight: 136.17Synonyms: 13031-76-0|3-Hydroxysulfolane|1,1-dioxothiolan-3-ol|Tetrahydrothiophene-3-ol 1,1-dioxide|Sulfolan-3-...SMILES: C1CS(=O)(=O)CC1OInChIKey: AMXKVIWWXBYXRS-UHFFFAOYSA-NInChI: InChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2
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2-Iodoethanol
Cas Number: 624-76-0Formula: C2H5IOMolecular weight: 171.97Synonyms: 2-IODOETHANOL|624-76-0|Ethanol, 2-iodo-|Ethylene iodohydrin|Iodoethanol|2-iodoethan-1-ol|2-iodo-etha...SMILES: C(CI)OInChIKey: QSECPQCFCWVBKM-UHFFFAOYSA-NInChI: InChI=1S/C2H5IO/c3-1-2-4/h4H,1-2H2
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2-Propanol-d8
Cas Number: 22739-76-0 EC Number: 245-189-2Formula: CD3CD(OD)CD3Molecular weight: 68.14Synonyms: 2-Propanol-d8|22739-76-0|(O,1,1,1,2,3,3,3-2H8)Propan-2-ol|1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxyp...SMILES: CC(C)OInChIKey: KFZMGEQAYNKOFK-PIODKIDGSA-NInChI: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3,3D,4D
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2-Amino-pyrimidine-5-carboxylic acid ethyl ester
Cas Number: 57401-76-0Formula: C7H9N3O2Molecular weight: 167.2Synonyms: ethyl 2-aminopyrimidine-5-carboxylate|57401-76-0|2-Amino-pyrimidine-5-carboxylic acid ethyl ester|5-...SMILES: CCOC(=O)C1=CN=C(N=C1)NInChIKey: GCGQBUJYXVSZBS-UHFFFAOYSA-NInChI: InChI=1S/C7H9N3O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3,(H2,8,9,10)
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Potassium trifluoro(oxetan-3-yl)borate
Cas Number: 1430219-76-3Formula: C3H5BF3KOMolecular weight: 163.98Synonyms: Potassium trifluoro(oxetan-3-yl)borate|1430219-76-3|potassium;trifluoro(oxetan-3-yl)boranuide|143027...SMILES: [B-](C1COC1)(F)(F)F.[K+]InChIKey: AONUDQUWROSMQI-UHFFFAOYSA-NInChI: InChI=1S/C3H5BF3O.K/c5-4(6,7)3-1-8-2-3;/h3H,1-2H2;/q-1;+1
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Chloro(2-{bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy-2′,4′,6′-triisopropyl-1,1′-biphenyl)gold(I)
Cas Number: 1334547-76-0Formula: C39H37AuClF12O2PMolecular weight: 1029.08Synonyms: 1334547-76-0 | Chloro(2-{bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy-2',4',6'-triiso...SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)OC)OC)C(C)C.Cl[Au]InChIKey: KULLQYGMPDHKQB-UHFFFAOYSA-MInChI: See more
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4-Amino-3-(trifluoromethyl)benzoic acid
Cas Number: 400-76-0Formula: C8H6F3NO2Molecular weight: 205.1Synonyms: 4-amino-3-(trifluoromethyl)benzoic acid|400-76-0|4-Amino-3-trifluoromethylbenzoic acid|4-amino-5-tri...SMILES: C1=CC(=C(C=C1C(=O)O)C(F)(F)F)NInChIKey: NPPPORJZPNJXNQ-UHFFFAOYSA-NInChI: InChI=1S/C8H6F3NO2/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12/h1-3H,12H2,(H,13,14)
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5-Fluoro-2′-deoxycytidine
Cas Number: 10356-76-0Formula: C9H12FN3O4Molecular weight: 245.21Synonyms: 10356-76-0|2'-Deoxy-5-fluorocytidine|5-FLUORO-2'-DEOXYCYTIDINE|FdCyd|5-Fluorodeoxycytidine|FCdR|4-am...SMILES: C1C(C(OC1N2C=C(C(=NC2=O)N)F)CO)OInChIKey: IDYKCXHJJGMAEV-RRKCRQDMSA-NInChI: InChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
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tert-butyl N-[(3S,6R)-6-methyl-3-piperidyl]carbamate
Cas Number: 1271024-76-0Formula: C11H22N2O2Molecular weight: 214.3Synonyms: 1271024-76-0 | tert-Butyl N-[(3S,6R)-6-methylpiperidin-3-yl]carbamate | (3S,6R)-3-(Boc-amino)-6-meth...SMILES: CC1CCC(CN1)NC(=O)OC(C)(C)CInChIKey: NNMBHCRWGGSRBE-BDAKNGLRSA-NInChI: InChI=1S/C11H22N2O2/c1-8-5-6-9(7-12-8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9+/m1/s1
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2-(4-Bromophenyl)-1-phenylbenzimidazole
Cas Number: 2620-76-0Formula: C19H13BrN2Molecular weight: 349.23Synonyms: 2620-76-0|2-(4-BROMOPHENYL)-1-PHENYL-1H-BENZOIMIDAZOLE|2-(4-Bromo-phenyl)-1-phenyl-1H-benzoimidazole...SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)BrInChIKey: DXRLALXPCIOIDK-UHFFFAOYSA-NInChI: InChI=1S/C19H13BrN2/c20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13H
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tert-butyl cis-3-fluoro-4-hydroxypyrrolidine-1-carboxylate
Synonyms: 1174020-48-4|tert-butyl (3s,4r)-3-fluoro-4-hydroxypyrrolidine-1-carboxylate|(3S,4R)-1-Boc-3-fluoro-4...SMILES: CC(C)(C)OC(=O)N1CC(C(C1)F)OInChIKey: KTBDFQPHEPDHQW-NKWVEPMBSA-NInChI: InChI=1S/C9H16FNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5H2,1-3H3/t6-,7+/m0/s1
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(2S,4S)-1-Boc-2-cyano-4-fluoropyrrolidine
Cas Number: 426844-76-0Formula: C10H15FN2O2Molecular weight: 214.24Synonyms: 426844-76-0|(2S,4S)-tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate|(2S,4S)-1-Boc-2-cyano-4-flu...SMILES: CC(C)(C)OC(=O)N1CC(CC1C#N)FInChIKey: QAKRZINKSNCLEV-YUMQZZPRSA-NInChI: InChI=1S/C10H15FN2O2/c1-10(2,3)15-9(14)13-6-7(11)4-8(13)5-12/h7-8H,4,6H2,1-3H3/t7-,8-/m0/s1
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6-hydroxy-2-azabicyclo[2.2.2]octane hydrochloride
Cas Number: 738551-49-0Formula: C7H14ClNOMolecular weight: 163.65Synonyms: 6-Hydroxy-2-azabicyclo[2.2.2]octane hydrochloride|128573-76-2|2-Azabicyclo[2.2.2]octan-6-ol hydrochl...SMILES: C1CC2C(CC1CN2)O.ClInChIKey: XNHWVUUTMPQGLP-UHFFFAOYSA-NInChI: InChI=1S/C7H13NO.ClH/c9-7-3-5-1-2-6(7)8-4-5;/h5-9H,1-4H2;1H
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