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Search results for: '86129-63-7'
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1-(4-BIPHENYLYL)ISOQUINOLINE
Cas Number: 110746-63-9Formula: C21H15NMolecular weight: 281.36Synonyms: 1-([1,1'-Biphenyl]-4-yl)isoquinoline|1-(4-phenylphenyl)isoquinoline|110746-63-9|1-(4-biphenylyl)isoq...SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=CC4=CC=CC=C43InChIKey: VASIFKDQQVGWTL-UHFFFAOYSA-NInChI: InChI=1S/C21H15N/c1-2-6-16(7-3-1)17-10-12-19(13-11-17)21-20-9-5-4-8-18(20)14-15-22-21/h1-15H
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Angelic Acid
Cas Number: 565-63-9Formula: C5H8O2Molecular weight: 100.12Synonyms: Angelic acid|565-63-9|cis-2-Methyl-2-butenoic acid|2-Methylisocrotonic acid|(Z)-2-methylbut-2-enoic ...SMILES: CC=C(C)C(=O)OInChIKey: UIERETOOQGIECD-ARJAWSKDSA-NInChI: InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-
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Triphenylen-2-ylboronic acid
Cas Number: 654664-63-8Formula: C18H13BO2Molecular weight: 272.11Synonyms: Triphenylen-2-ylboronic acid|654664-63-8|2-triphenylenylBoronic acid|B-2-Triphenylenylboronic acid|T...SMILES: B(C1=CC2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42)(O)OInChIKey: PXFBSZZEOWJJNL-UHFFFAOYSA-NInChI: InChI=1S/C18H13BO2/c20-19(21)12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11,20-21H
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Ethyl 6-(2,3-difluorophenyl)picolinate
Cas Number: 1261831-63-3Formula: C14H11F2NO2Molecular weight: 263.2Synonyms: Ethyl 6-(2,3-difluorophenyl)picolinate|1261831-63-3|ethyl 6-(2,3-difluorophenyl)pyridine-2-carboxyla...SMILES: CCOC(=O)C1=CC=CC(=N1)C2=C(C(=CC=C2)F)FInChIKey: PHDIUBHOTWAKDN-UHFFFAOYSA-NInChI: InChI=1S/C14H11F2NO2/c1-2-19-14(18)12-8-4-7-11(17-12)9-5-3-6-10(15)13(9)16/h3-8H,2H2,1H3
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3-Bromomethyl-benzoic acid tert-butyl ester
Cas Number: 126062-63-3Formula: C12H15BrO2Molecular weight: 271.15Synonyms: tert-butyl 3-(bromomethyl)benzoate|126062-63-3|3-Bromomethyl-benzoic Acid Tert-Butyl Ester|Benzoic a...SMILES: CC(C)(C)OC(=O)C1=CC=CC(=C1)CBrInChIKey: FWVVBSNKXPFYMT-UHFFFAOYSA-NInChI: InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h4-7H,8H2,1-3H3
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(2-Benzylphenyl)boronic acid
Cas Number: 40276-63-9Formula: C13H13BO2Molecular weight: 212.05Synonyms: (2-Benzylphenyl)boronic acid|40276-63-9|2-BENZYLPHENYLBORONIC ACID|MFCD16725656|(2-Benzylphenyl)boro...SMILES: B(C1=CC=CC=C1CC2=CC=CC=C2)(O)OInChIKey: QGEKLPGERLPRSX-UHFFFAOYSA-NInChI: InChI=1S/C13H13BO2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,15-16H,10H2
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2,3,4,4',5,6-Hexachlorobiphenyl
Cas Number: 41411-63-6Formula: C12H4Cl6Molecular weight: 360.88Synonyms: 2,3,4,4',5,6-Hexachlorobiphenyl|41411-63-6|PCB 166|1,2,3,4,5-pentachloro-6-(4-chlorophenyl)benzene|U...SMILES: C1=CC(=CC=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)ClInChIKey: BTOCFTAWZMMTNB-UHFFFAOYSA-NInChI: InChI=1S/C12H4Cl6/c13-6-3-1-5(2-4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H
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Methyl 2-bromo-5-chlorothiazole-4-carboxylate
Cas Number: 1053655-63-2Formula: C5H3BrClNO2SMolecular weight: 256.5Synonyms: Methyl 2-bromo-5-chlorothiazole-4-carboxylate|1053655-63-2|Methyl 2-bromo-5-chloro-1,3-thiazole-4-ca...SMILES: COC(=O)C1=C(SC(=N1)Br)ClInChIKey: LUGAGMHCJHFNFH-UHFFFAOYSA-NInChI: InChI=1S/C5H3BrClNO2S/c1-10-4(9)2-3(7)11-5(6)8-2/h1H3
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2′-Deoxyadenosine 5′-monophosphate
Formula: C10H14N5O6PMolecular weight: 331.22Synonyms: 653-63-4|2'-deoxyadenosine-5'-monophosphate|dAMP|2'-Deoxyadenosine 5'-monophosphate|2'-Deoxyadenylic...SMILES: C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)OInChIKey: KHWCHTKSEGGWEX-RRKCRQDMSA-NInChI: InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
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(9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
Cas Number: 179605-63-1Formula: C8H16N2Molecular weight: 140.23Synonyms: 179605-63-1 | (S)-Octahydro-pyrido[1,2-a]pyrazine | (S)-Octahydro-1H-pyrido[1,2-a]pyrazine | (9aS)-2...SMILES: C1CCN2CCNCC2C1InChIKey: ONHPOXROAPYCGT-QMMMGPOBSA-NInChI: InChI=1S/C8H16N2/c1-2-5-10-6-4-9-7-8(10)3-1/h8-9H,1-7H2/t8-/m0/s1
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furo[2,3-b]pyridine-4-carboxylic acid
Cas Number: 1500260-63-8Formula: C8H5NO3Molecular weight: 163.13Synonyms: furo[2,3-b]pyridine-4-carboxylic acid | 1500260-63-8 | SCHEMBL8905252 | MFCD30803283 | AS-84507 | D7...SMILES: C1=CN=C2C(=C1C(=O)O)C=CO2InChIKey: KFZNEWDBYCXJFZ-UHFFFAOYSA-NInChI: InChI=1S/C8H5NO3/c10-8(11)6-1-3-9-7-5(6)2-4-12-7/h1-4H,(H,10,11)
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Inosine
Formula: C10H12N4O5Molecular weight: 268.23Synonyms: inosine|58-63-9|Hypoxanthosine|Ribonosine|Atorel|Oxiamin|Hypoxanthine riboside|Trophicardyl|Selfer|P...SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC=Nc23InChIKey: UGQMRVRMYYASKQ-KQYNXXCUSA-NInChI: InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
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4'-NITROSUCCINANILIC ACID
Cas Number: 5502-63-6Formula: C10H10N2O5Molecular weight: 238.202Synonyms: 4-[(4-nitrophenyl)amino]-4-oxobutanoic acid|5502-63-6|4-(4-nitroanilino)-4-oxobutanoic acid|p-nitros...SMILES: C1=CC(=CC=C1NC(=O)CCC(=O)O)[N+](=O)[O-]InChIKey: TYVJAVSCQNUKPY-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2O5/c13-9(5-6-10(14)15)11-7-1-3-8(4-2-7)12(16)17/h1-4H,5-6H2,(H,11,13)(H,14,15)
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6-bromo-3-(trifluoromethyl)-1H-indazole
Cas Number: 1374258-63-5Formula: C8H4BrF3N2Molecular weight: 265.03Synonyms: SY103157 | DTXSID30737377 | 1374258-63-5 | 6-Bromo-3-(trifluoromethyl)-1H-indazole | SB16407 | SCHEM...SMILES: C1=CC2=C(NN=C2C=C1Br)C(F)(F)FInChIKey: GMYSAWPFYXURBS-UHFFFAOYSA-NInChI: InChI=1S/C8H4BrF3N2/c9-4-1-2-5-6(3-4)13-14-7(5)8(10,11)12/h1-3H,(H,13,14)
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Methyl 3-Bromopyruvate
Cas Number: 7425-63-0Formula: C4H5BrO3Molecular weight: 180.99Synonyms: Methyl bromopyruvate|7425-63-0|methyl 3-bromo-2-oxopropanoate|Methyl 3-bromopyruvate|MethylBromopyru...SMILES: COC(=O)C(=O)CBrInChIKey: MQONVZMIFQQQHA-UHFFFAOYSA-NInChI: InChI=1S/C4H5BrO3/c1-8-4(7)3(6)2-5/h2H2,1H3
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Lactofen
Cas Number: 77501-63-4Formula: C19H15ClF3NO7Molecular weight: 461.77Synonyms: (1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate | UNII-L44N8UV47...SMILES: CCOC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]InChIKey: CONWAEURSVPLRM-UHFFFAOYSA-NInChI: InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3
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3-(3,4-Dihydroxyphenyl)-DL-alanine
Cas Number: 63-84-3Formula: C9H11NO4Molecular weight: 197.19Synonyms: DL-DOPA|63-84-3|3,4-Dihydroxy-DL-phenylalanine|2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid|dihydro...SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)O)OInChIKey: WTDRDQBEARUVNC-UHFFFAOYSA-NInChI: InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
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3-Acetyl-2-methyl-5-phenylthiophene
Cas Number: 40932-63-6Formula: C13H12OSMolecular weight: 216.3Synonyms: 40932-63-6|3-Acetyl-2-methyl-5-phenylthiophene|1-(2-methyl-5-phenylthiophen-3-yl)ethanone|1-(2-Methy...SMILES: CC1=C(C=C(S1)C2=CC=CC=C2)C(=O)CInChIKey: GREAZYFTAJMZFD-UHFFFAOYSA-NInChI: InChI=1S/C13H12OS/c1-9(14)12-8-13(15-10(12)2)11-6-4-3-5-7-11/h3-8H,1-2H3
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8-oxa-1-azaspiro[4.5]decane
Cas Number: 51130-63-3Formula: C8H15NOMolecular weight: 141.214Synonyms: 8-Oxa-1-azaspiro[4.5]decane|51130-63-3|8-Oxa-1-aza-spiro[4.5]decane|MFCD14581266|SCHEMBL16877401|DTX...SMILES: C1CC2(CCOCC2)NC1InChIKey: FDDQZACIAJOJFY-UHFFFAOYSA-NInChI: InChI=1S/C8H15NO/c1-2-8(9-5-1)3-6-10-7-4-8/h9H,1-7H2
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6-Bromo-3-methoxyisoquinoline
Cas Number: 1330750-63-4Formula: C10H8BrNOMolecular weight: 238.08Synonyms: JVMUEAIOOCTKKJ-UHFFFAOYSA-N | C91004 | Isoquinoline, 6-bromo-3-methoxy- | 6-Bromo-3-methoxyisoquinol...SMILES: COC1=NC=C2C=CC(=CC2=C1)BrInChIKey: JVMUEAIOOCTKKJ-UHFFFAOYSA-NInChI: InChI=1S/C10H8BrNO/c1-13-10-5-8-4-9(11)3-2-7(8)6-12-10/h2-6H,1H3
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4,6-dimethoxypyrimidine-2-carbonitrile
Cas Number: 139539-63-2Formula: C7H7N3O2Molecular weight: 165.152Synonyms: 4,6-Dimethoxypyrimidine-2-carbonitrile|139539-63-2|2-CYANO-4,6-DIMETHOXY-PYRIMIDINE|MFCD04972587|2-P...SMILES: COC1=CC(=NC(=N1)C#N)OCInChIKey: JKBOPKHTARFXNE-UHFFFAOYSA-NInChI: InChI=1S/C7H7N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,1-2H3
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Atractylodin
Cas Number: 55290-63-6(DMSO)Formula: C13H10OMolecular weight: 182.21Synonyms: Atractylodin|55290-63-6|Atractydin|2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan|V73E8B6UAC|(E,E)-2-(1,7...SMILES: CC=CC#CC#CC=CC1=CC=CO1InChIKey: GRBKWAXRYIITKG-QFMFQGICSA-NInChI: InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+
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5-Fluoro-6-iodo-1H-pyrrolo[2,3-b]pyridine
Cas Number: 1228665-63-1Formula: C7H4FIN2Molecular weight: 262.03Synonyms: AVANIMKSNTZKIZ-UHFFFAOYSA-N | 1228665-63-1 | DTXSID70678437 | 5-Fluoro-6-iodo-1H-pyrrolo[2,3-b]pyrid...SMILES: C1=CNC2=NC(=C(C=C21)F)IInChIKey: AVANIMKSNTZKIZ-UHFFFAOYSA-NInChI: InChI=1S/C7H4FIN2/c8-5-3-4-1-2-10-7(4)11-6(5)9/h1-3H,(H,10,11)
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(3R,4R)-3-methoxyoxan-4-amine hydrochloride
Cas Number: 1232064-63-9Formula: C6H14ClNO2Molecular weight: 167.63Synonyms: 1232064-63-9|(3R,4R)-3-Methoxyoxan-4-amine hydrochloride|(3R,4R)-3-METHOXYOXAN-4-AMINE HCL|(3R,4R)-3...SMILES: COC1COCCC1N.ClInChIKey: DMWZYPXYPVHLOG-IBTYICNHSA-NInChI: InChI=1S/C6H13NO2.ClH/c1-8-6-4-9-3-2-5(6)7;/h5-6H,2-4,7H2,1H3;1H/t5-,6+;/m1./s1
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