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Search results for: '105-31-7'
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1-Hexyn-3-ol
Formula: C6H10OMolecular weight: 98.14Synonyms: H0141 | MFCD00014408 | A1-00337 | NCGC00357079-01 | 1-hexine-3-ol | AKOS009158382 | A801196 | DTXSID...SMILES: CCCC(C#C)OInChIKey: LTFTWJYRQNTCHI-UHFFFAOYSA-NInChI: InChI=1S/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3
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MTI-31
Cas Number: 1567915-38-1Formula: C26H30N6O3Molecular weight: 474.55Synonyms: AKOS040754593 | SCC-31 | MS-28805 | BDBM351976 | US9796732, Compound 44 | Preparation of 3-(4-(3-oxa...SMILES: CC1COCCN1C2=NC3=C(C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)C(=N2)N5C6CCC5COC6InChIKey: LVPBYQVQBZLDAU-DZIBYMRMSA-NInChI: See more
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7-Methyl-8-quinolinamine
Cas Number: 5470-82-6Formula: C10H10N2Molecular weight: 158.2Synonyms: 8-Quinolinamine, 7-methyl- | SB67574 | DTXSID40282787 | NSC-27989 | 4P-105 | 7-methyl-8-aminoquinoli...SMILES: CC1=C(C2=C(C=CC=N2)C=C1)NInChIKey: LOVKAXWPSDVFJO-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2/c1-7-4-5-8-3-2-6-12-10(8)9(7)11/h2-6H,11H2,1H3
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Acetal
Formula: C6H14O2Molecular weight: 118.17Synonyms: ACETAL [HSDB] | Delrin 500T | F8880-7267 | Acetaal | Acetale [Italian] | Ethylene diethyl ether | MF...SMILES: CCOC(C)OCCInChIKey: DHKHKXVYLBGOIT-UHFFFAOYSA-NInChI: InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
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Methyl acetoacetate
Formula: C5H8O3Molecular weight: 116.12Synonyms: CAS-105-45-3 | s3091 | Tox21_200162 | 3-Oxobutyric Acid Methyl Ester | 3-oxo-butyric acid methyl est...SMILES: CC(=O)CC(=O)OCInChIKey: WRQNANDWMGAFTP-UHFFFAOYSA-NInChI: InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
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Aminopyrazine
Formula: C4H5N3Molecular weight: 95.1Synonyms: F2169-0758 | Pyrazine, 2-amino- | EINECS 225-748-7 | AC-907/25014024 | AKOS000120229 | MFCD00007083 ...SMILES: C1=CN=C(C=N1)NInChIKey: XFTQRUTUGRCSGO-UHFFFAOYSA-NInChI: InChI=1S/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7)
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1,4-Diethylbenzene
Formula: C10H14Molecular weight: 134.22Synonyms: 1,4-DIETHYLBENZENE | 1,4-Diethylbenzene 100 microg/mL in Methanol | InChI=1/C10H14/c1-3-9-5-7-10(4-2...SMILES: CCC1=CC=C(C=C1)CCInChIKey: DSNHSQKRULAAEI-UHFFFAOYSA-NInChI: InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
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Rose Bengal B
Cas Number: 632-68-8Formula: C20H2Cl4I4K2O5Molecular weight: 1049.8Synonyms: 632-68-8|Aizen Rose Bengal|Bengal Rose B|Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4,5,6,7-te...SMILES: C1=C2C(=C(C(=C1I)[O-])I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)[O-])I.[K+].[K+]InChIKey: VQHHOXOLUXRQFQ-UHFFFAOYSA-LInChI: InChI=1S/C20H4Cl4I4O5.2K/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28;;/h1-2,29-30H;;/q;2*+1/p-2
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Dibutyl Adipate
Formula: C14H26O4Molecular weight: 258.35Synonyms: DIBUTYL ADIPATE|105-99-7|Dibutyl hexanedioate|Butyl adipate|Di-n-butyl adipate|Hexanedioic acid, dib...SMILES: CCCCOC(=O)CCCCC(=O)OCCCCInChIKey: XTJFFFGAUHQWII-UHFFFAOYSA-NInChI: InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
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Rose bengal
Formula: C20H2Cl4I4Na2O5Molecular weight: 1017.64Synonyms: Acid Red 94 | R105 sodium | Food Red No. 105, sodium salt | Rose Bengal (sodium salt)(1:2) | PV 10 |...SMILES: C1=C2C(=C(C(=C1I)[O-])I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)[O-])I.[Na+].[Na+]InChIKey: KCQREHTWEUECQT-UHFFFAOYSA-LInChI: InChI=1S/C20H4Cl4I4O5.2Na/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28;;/h1-2,29-30H;;/q;2*+1/p-2
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STF 31
Cas Number: 724741-75-7Formula: C23H25N3O3SMolecular weight: 423.53Synonyms: STF-31|724741-75-7|STF 31|STF31|4-({[(4-Tert-Butylphenyl)sulfonyl]amino}methyl)-N-(Pyridin-3-Yl)benz...SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3InChIKey: NGQPRVWTFNBUHA-UHFFFAOYSA-NInChI: InChI=1S/C23H25N3O3S/c1-23(2,3)19-10-12-21(13-11-19)30(28,29)25-15-17-6-8-18(9-7-17)22(27)26-20-5-4-14-24-16-20/h4-14,16,25H,15H2,1-3H3,(H,26,27)
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4-Chloro-7-trifluoromethoxy-quinoline
Cas Number: 40516-31-2Formula: C10H5ClF3NOMolecular weight: 247.6Synonyms: 4-chloro-7-(trifluoromethoxy)quinoline|40516-31-2|4-Chloro-7-trifluoromethoxy-quinoline|4-CHLORO-7-T...SMILES: C1=CC2=C(C=CN=C2C=C1OC(F)(F)F)ClInChIKey: IMYQYVHUVHLCOX-UHFFFAOYSA-NInChI: InChI=1S/C10H5ClF3NO/c11-8-3-4-15-9-5-6(1-2-7(8)9)16-10(12,13)14/h1-5H
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7-bromo-6-fluoro-benzofuran-5-carboxylic acid
Cas Number: 2306277-31-4Formula: C9H4O3FBrMolecular weight: 259.03Synonyms: 7-bromo-6-fluoro-benzofuran-5-carboxylic acid | 2306277-31-4 | 7-bromo-6-fluoro-1-benzofuran-5-carbo...SMILES: C1=COC2=C(C(=C(C=C21)C(=O)O)F)BrInChIKey: IDBAGRYHUWPTEW-UHFFFAOYSA-NInChI: InChI=1S/C9H4BrFO3/c10-6-7(11)5(9(12)13)3-4-1-2-14-8(4)6/h1-3H,(H,12,13)
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7-Bromo-4-methylquinoline
Cas Number: 141052-31-5Formula: C10H8BrNMolecular weight: 222.08Synonyms: 7-BROMO-4-METHYLQUINOLINE|141052-31-5|Quinoline, 7-bromo-4-methyl-|MFCD18204665|SCHEMBL1496382|DTXSI...SMILES: CC1=C2C=CC(=CC2=NC=C1)BrInChIKey: AGMXSOARXXPPIJ-UHFFFAOYSA-NInChI: InChI=1S/C10H8BrN/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h2-6H,1H3
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4-Methyl-7-nitroindoline
Cas Number: 179176-31-9Formula: C9H10N2O2Molecular weight: 178.19Synonyms: 4-Methyl-7-nitroindoline|179176-31-9|4-methyl-7-nitro-2,3-dihydro-1H-indole|1H-Indole, 2,3-dihydro-4...SMILES: CC1=C2CCNC2=C(C=C1)[N+](=O)[O-]InChIKey: SCFZFJRSCMUKHY-UHFFFAOYSA-NInChI: InChI=1S/C9H10N2O2/c1-6-2-3-8(11(12)13)9-7(6)4-5-10-9/h2-3,10H,4-5H2,1H3
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7-Bromo-4-fluorobenzofuran
Cas Number: 253429-31-1Formula: C8H4BrFOMolecular weight: 215Synonyms: 7-Bromo-4-fluorobenzofuran|253429-31-1|4-Fluoro-7-bromobenzofuran|7-bromo-4-fluoro-1-benzofuran|7-Br...SMILES: C1=CC(=C2C(=C1F)C=CO2)BrInChIKey: IYRKPHRAECMQTJ-UHFFFAOYSA-NInChI: InChI=1S/C8H4BrFO/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4H
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7-Amino-4-methylcoumarin
Cas Number: 26093-31-2 EC Number: 247-454-8Formula: C10H9NO2Molecular weight: 175.18Synonyms: Sodium n-dodecyl sulfate | AM9859 | C47M2 | 7-Amino-4-methylcoumarin, 99% | 7-amino-4-methylcoumarin...SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NInChIKey: GLNDAGDHSLMOKX-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
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7-bromo-6-chloro-1,2,3,4-tetrahydroquinazoline-2,4-dione
Cas Number: 1951439-31-8Formula: C8H4BrClN2O2Molecular weight: 275.49Synonyms: 1951439-31-8 | 7-Bromo-6-chloroquinazoline-2,4(1H,3H)-dione | 7-bromo-6-chloro-1,2,3,4-tetrahydroqui...SMILES: C1=C2C(=CC(=C1Cl)Br)NC(=O)NC2=OInChIKey: QXITVDCNFMNNQX-UHFFFAOYSA-NInChI: InChI=1S/C8H4BrClN2O2/c9-4-2-6-3(1-5(4)10)7(13)12-8(14)11-6/h1-2H,(H2,11,12,13,14)
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6-iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
Cas Number: 1638763-31-1Formula: C7H6IN3Molecular weight: 259.05Synonyms: 7H-Pyrrolo[2,3-d]pyrimidine, 6-iodo-7-methyl- | PS-16787 | 6-Iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidi...SMILES: CN1C(=CC2=CN=CN=C21)IInChIKey: BHDVEZMOOPOMRJ-UHFFFAOYSA-NInChI: InChI=1S/C7H6IN3/c1-11-6(8)2-5-3-9-4-10-7(5)11/h2-4H,1H3
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5-bromo-7-fluoro-1H-indazole-3-carboxylic acid
Cas Number: 1360953-31-6Formula: C8H4N2O2FBrMolecular weight: 259.03Synonyms: 5-bromo-7-fluoro-1H-indazole-3-carboxylic acid | 1360953-31-6 | MFCD07378926 | 5-bromo-7-fluoro-2H-i...SMILES: C1=C(C=C(C2=NNC(=C21)C(=O)O)F)BrInChIKey: SAGLBMDEYPVQLR-UHFFFAOYSA-NInChI: InChI=1S/C8H4BrFN2O2/c9-3-1-4-6(5(10)2-3)11-12-7(4)8(13)14/h1-2H,(H,11,12)(H,13,14)
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(3,4,5-trioctadecoxyphenyl)methanol
Cas Number: 233281-31-7Formula: C61H116O4Molecular weight: 913.57Synonyms: (3,4,5-trioctadecoxyphenyl)methanol | (3,4,5-Tris(octadecyloxy)phenyl)methanol | 233281-31-7 | Tob-O...SMILES: CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)COInChIKey: HFVGJVRPXMSSHO-UHFFFAOYSA-NInChI: See more
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8 Citations 
