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Search results for: '64091-91-4'
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1-(4-Hydroxyphenyl)-1H-pyrrole-2,5-dione
Cas Number: 7300-91-6Formula: C10H7NO3Molecular weight: 189.17Synonyms: 7300-91-6|1-(4-Hydroxyphenyl)-1H-pyrrole-2,5-dione|4-maleimidophenol|N-(4-Hydroxyphenyl)maleimide|1-...SMILES: C1=CC(=CC=C1N2C(=O)C=CC2=O)OInChIKey: BLLFPKZTBLMEFG-UHFFFAOYSA-NInChI: InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
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4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)aniline
Cas Number: 1197159-91-3Formula: C17H22N6O2Molecular weight: 342.4Synonyms: 1197159-91-3 | SY247198 | D5522 | AKOS026673975 | OGMSQGCPVLGNIG-UHFFFAOYSA-N | SB17832 | AS-70314 |...SMILES: C1COCCN1C2=NC(=NC(=N2)C3=CC=C(C=C3)N)N4CCOCC4InChIKey: OGMSQGCPVLGNIG-UHFFFAOYSA-NInChI: InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2
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3-(4-METHYLPHENYL)-5-ISOXAZOLAMINE
Cas Number: 28883-91-2Formula: C10H10N2OMolecular weight: 174.204Synonyms: 28883-91-2|3-(4-methylphenyl)isoxazol-5-amine|5-Amino-3-(4-methylphenyl)isoxazole|3-(4-methylphenyl)...SMILES: CC1=CC=C(C=C1)C2=NOC(=C2)NInChIKey: APWSTGHORLJQPY-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2O/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,11H2,1H3
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3,3'-Dichlorobenzidine
Cas Number: 91-94-1Formula: C12H10Cl2N2Molecular weight: 253.13Synonyms: 3,3'-DICHLOROBENZIDINE|91-94-1|3,3'-Dichlorobiphenyl-4,4'-diamine|Dichlorobenzidine base|o,o'-Dichlo...SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)NInChIKey: HUWXDEQWWKGHRV-UHFFFAOYSA-NInChI: InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
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N(alpha)-Ethoxycarbonyl-L-asparagine
Cas Number: 16639-91-1Formula: C7H12N2O5Molecular weight: 204.18Synonyms: 16639-91-1|(S)-4-Amino-2-((ethoxycarbonyl)amino)-4-oxobutanoic acid|L-Asparagine, N2-(ethoxycarbonyl...SMILES: CCOC(=O)NC(CC(=O)N)C(=O)OInChIKey: YORYXPTWPIKBDE-BYPYZUCNSA-NInChI: InChI=1S/C7H12N2O5/c1-2-14-7(13)9-4(6(11)12)3-5(8)10/h4H,2-3H2,1H3,(H2,8,10)(H,9,13)(H,11,12)/t4-/m0/s1
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3-Amino-4-fluorobenzonitrile
Cas Number: 859855-53-1Formula: C7H5FN2Molecular weight: 136.13Synonyms: 3-Amino-4-fluorobenzonitrile|859855-53-1|MFCD07787428|3-Amino-4-fluoro-benzonitrile|Boc-Tyr(Me)-OHDC...SMILES: C1=CC(=C(C=C1C#N)N)FInChIKey: BHMZMZOMQYFFQL-UHFFFAOYSA-NInChI: InChI=1S/C7H5FN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2
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3-[(4-Chloro-3-methylphenoxy)methyl]phenylboronic acid (contains varying amounts of Anhydride)
Cas Number: 1072951-91-7Formula: C14H14BClO3Molecular weight: 276.52Synonyms: 3-[(4-Chloro-3-methylphenoxy)methyl]phenylboronic acid|1072951-91-7|[3-[(4-chloro-3-methylphenoxy)me...SMILES: B(C1=CC(=CC=C1)COC2=CC(=C(C=C2)Cl)C)(O)OInChIKey: MLTCJWUQGYLPLF-UHFFFAOYSA-NInChI: InChI=1S/C14H14BClO3/c1-10-7-13(5-6-14(10)16)19-9-11-3-2-4-12(8-11)15(17)18/h2-8,17-18H,9H2,1H3
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4-Amino-2-fluoro-5-methoxybenzoic acid
Cas Number: 1001346-91-3Formula: C8H8FNO3Molecular weight: 185.15Synonyms: 1001346-91-3 | MFCD11849929 | AKOS016002906 | 4-Amino-2-fluoro-5-methoxybenzoic acid | 4-amino-2-flu...SMILES: COC1=C(C=C(C(=C1)C(=O)O)F)NInChIKey: AOFWIQANMFITAG-UHFFFAOYSA-NInChI: InChI=1S/C8H8FNO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,10H2,1H3,(H,11,12)
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Ethyl 4-isocyanatobenzoate
Cas Number: 30806-83-8Formula: C10H9NO3Molecular weight: 191.18Synonyms: 4-Ethoxycarbonyphenyl isocyanate | Ethyl para-isocyanatobenzoate | SCHEMBL76337 | Zopiclone, British...SMILES: CCOC(=O)C1=CC=C(C=C1)N=C=OInChIKey: CFEPCPHKICBCJV-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO3/c1-2-14-10(13)8-3-5-9(6-4-8)11-7-12/h3-6H,2H2,1H3
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Methyl 4-ethyl-3-iodobenzoate
Cas Number: 51885-91-7Formula: C10H11IO2Molecular weight: 290.1Synonyms: methyl 4-ethyl-3-iodobenzoate|51885-91-7|Methyl 4-Ethyl-iodobenzoate|METHYL 4-ETHYL-3-IODO-BENZOATE|...SMILES: CCC1=C(C=C(C=C1)C(=O)OC)IInChIKey: JTKHZRNJWHCKFS-UHFFFAOYSA-NInChI: InChI=1S/C10H11IO2/c1-3-7-4-5-8(6-9(7)11)10(12)13-2/h4-6H,3H2,1-2H3
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4-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine
Cas Number: 1260385-91-8Formula: C7H4BrFN2Molecular weight: 215.025Synonyms: 4-Bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine|1260385-91-8|1H-Pyrrolo[2,3-b]pyridine, 4-bromo-3-fluoro-...SMILES: C1=CN=C2C(=C1Br)C(=CN2)FInChIKey: QMCXMROKMHVDRC-UHFFFAOYSA-NInChI: InChI=1S/C7H4BrFN2/c8-4-1-2-10-7-6(4)5(9)3-11-7/h1-3H,(H,10,11)
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tert-butyl (2S,4R)-4-hydroxy-2-methylpiperidine-1-carboxylate
Cas Number: 790667-91-3Formula: C11H21NO3Molecular weight: 215.29Synonyms: 790667-91-3 | tert-butyl (2S,4R)-4-hydroxy-2-methylpiperidine-1-carboxylate | (2S,4R)-1-BOC-2-METHYL...SMILES: CC1CC(CCN1C(=O)OC(C)(C)C)OInChIKey: RCXJVQLRZJXWNM-DTWKUNHWSA-NInChI: InChI=1S/C11H21NO3/c1-8-7-9(13)5-6-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m0/s1
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2-[[(3-Amino-4-hydroxyphenyl)sulphonyl]amino]benzoic acid
Cas Number: 91-35-0Formula: C13H12N2O5SMolecular weight: 308.3Synonyms: 91-35-0|2-(3-Amino-4-hydroxyphenylsulfonamido)benzoic acid|2-[[(3-Amino-4-hydroxyphenyl)sulphonyl]am...SMILES: C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)O)NInChIKey: ISDVREGLMJJFJG-UHFFFAOYSA-NInChI: InChI=1S/C13H12N2O5S/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,14H2,(H,17,18)
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1-Benzyl-3,3-dimethylpiperidin-4-one
Cas Number: 173186-91-9Formula: C14H19NOMolecular weight: 217.31Synonyms: 1-benzyl-3,3-dimethylpiperidin-4-one|173186-91-9|1-benzyl-3,3-dimethyl-piperidin-4-one|4-Piperidinon...SMILES: CC1(CN(CCC1=O)CC2=CC=CC=C2)CInChIKey: YKQMBPQMCWGNDY-UHFFFAOYSA-NInChI: InChI=1S/C14H19NO/c1-14(2)11-15(9-8-13(14)16)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
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Ethyl 3-bromo-1H-pyrazole-4-carboxylate
Cas Number: 1353100-91-0Formula: C6H7BrN2O2Molecular weight: 219.04Synonyms: Ethyl 3-bromo-1H-pyrazole-4-carboxylate|1353100-91-0|ethyl 5-bromo-1H-pyrazole-4-carboxylate|1-H-pyr...SMILES: CCOC(=O)C1=C(NN=C1)BrInChIKey: HMONTLMXUZERMC-UHFFFAOYSA-NInChI: InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)
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Arotinolol Hydrochloride
Cas Number: 68377-91-3Formula: C15H21N3O2S3•HClMolecular weight: 407.99Synonyms: CAS-68377-91-3 | 9DOI1HT306 | .ALPHA.-BROMO-N-CAPROIC ACID [MI] | Tox21_112721 | FT-0602864 | (+/-)-...SMILES: CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O.ClInChIKey: XXDAXBZYUXLDRD-UHFFFAOYSA-NInChI: InChI=1S/C15H21N3O2S3.ClH/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20;/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20);1H
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2-Pyridin-3-yl-quinoline-4-carboxylic acid
Cas Number: 7482-91-9Formula: C15H10N2O2Molecular weight: 250.3Synonyms: 7482-91-9|2-(pyridin-3-yl)quinoline-4-carboxylic acid|2-Pyridin-3-yl-quinoline-4-carboxylic acid|2-p...SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)OInChIKey: XQNXXNNXRWYNAS-UHFFFAOYSA-NInChI: InChI=1S/C15H10N2O2/c18-15(19)12-8-14(10-4-3-7-16-9-10)17-13-6-2-1-5-11(12)13/h1-9H,(H,18,19)
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4-Bromo-1-(4-pyrrolidinosulfonylphenyl)pyrazole
Cas Number: 1187385-91-6Formula: C13H14BrN3O2SMolecular weight: 356.2Synonyms: 1187385-91-6|4-Bromo-1-(4-pyrrolidinosulfonylphenyl)pyrazole|4-Bromo-1-(4-(pyrrolidin-1-ylsulfonyl)p...SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=C(C=N3)BrInChIKey: YZYSDVOOLVZULZ-UHFFFAOYSA-NInChI: InChI=1S/C13H14BrN3O2S/c14-11-9-15-17(10-11)12-3-5-13(6-4-12)20(18,19)16-7-1-2-8-16/h3-6,9-10H,1-2,7-8H2
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N,N-Diethyl-4-fluorobenzenesulfonamide
Cas Number: 309-91-1Formula: C10H14FNO2SMolecular weight: 231.3Synonyms: N,N-diethyl-4-fluorobenzenesulfonamide|309-91-1|MLS000058892|TimTec1_002896|SCHEMBL3246445|CHEMBL187...SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)FInChIKey: RQOUFSQZCQYRKK-UHFFFAOYSA-NInChI: InChI=1S/C10H14FNO2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
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2,8-Dimethyl-4-hydroxyquinoline
Cas Number: 15644-80-1Formula: C11H11NOMolecular weight: 173.2Synonyms: 2,8-dimethylquinolin-4-ol|15644-80-1|2,8-Dimethyl-4-hydroxyquinoline|2,8-Dimethylquinolin-4(1H)-one|...SMILES: CC1=C2C(=CC=C1)C(=O)C=C(N2)CInChIKey: QUHJYDMHDWSZIP-UHFFFAOYSA-NInChI: InChI=1S/C11H11NO/c1-7-4-3-5-9-10(13)6-8(2)12-11(7)9/h3-6H,1-2H3,(H,12,13)
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4-(Pyrimidin-5-yl)benzoic acid
Cas Number: 216959-91-0Formula: C11H8N2O2Molecular weight: 200.19Synonyms: 4-(pyrimidin-5-yl)benzoic acid|216959-91-0|4-Pyrimidin-5-yl-benzoic acid|4-pyrimidin-5-ylbenzoic Aci...SMILES: C1=CC(=CC=C1C2=CN=CN=C2)C(=O)OInChIKey: CCBKADQVSXLSDN-UHFFFAOYSA-NInChI: InChI=1S/C11H8N2O2/c14-11(15)9-3-1-8(2-4-9)10-5-12-7-13-6-10/h1-7H,(H,14,15)
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tert-butyl (4S)-4-methyl-2,2-dioxo-1,2λ⁶,3-oxathiazolidine-3-carboxylate
Cas Number: 439948-91-1Formula: C8H15NO5SMolecular weight: 237.273Synonyms: 439948-91-1|(4S)-2,2-Dioxido-4-methyl-1,2,3-oxathiazolidine, n-boc protected|tert-butyl (4S)-4-methy...SMILES: CC1COS(=O)(=O)N1C(=O)OC(C)(C)CInChIKey: NFAKQWFVEAEEPG-LURJTMIESA-NInChI: InChI=1S/C8H15NO5S/c1-6-5-13-15(11,12)9(6)7(10)14-8(2,3)4/h6H,5H2,1-4H3/t6-/m0/s1
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4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
Cas Number: 1190313-91-7Formula: C9H8N2O2Molecular weight: 176.18Synonyms: AMY9687 | SCHEMBL23727504 | CS-0183581 | SB14367 | MFCD12962766 | 4-methyl-1H-pyrrolo[2,3-b]pyridine...SMILES: CC1=C2C(=CNC2=NC=C1)C(=O)OInChIKey: FUHKPDCCMOJJAZ-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O2/c1-5-2-3-10-8-7(5)6(4-11-8)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
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Eosin B
Formula: C20H6N2O9Br2Na2Molecular weight: 624.06Synonyms: 4′,5′-Dibromo-2′,7′-dinitrofluorescein disodium salt Acid Red 91 | Eosin bluish | Eosin Scar...SMILES: [Na+].[Na+].[O-][N+](=O)c1cc2c(c3ccccc3C(=O)[O-])c3cc([N+](=O)[O-])c([O-])c(Br)c3oc2c(Br)c1=O
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