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Search results for: '932-83-2'
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2-(trifluoromethyl)-6,7-dihydrocyclopenta[b]pyridin-5-one
Cas Number: 1196155-83-5Formula: C9H6NOF3Molecular weight: 201.14Synonyms: 1196155-83-5 | 2-(TRIFLUOROMETHYL)-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-5-ONE | 2-(trifluoromethyl)-6...SMILES: C1CC(=O)C2=C1N=C(C=C2)C(F)(F)FInChIKey: QFXYYKXVFLMOEC-UHFFFAOYSA-NInChI: InChI=1S/C9H6F3NO/c10-9(11,12)8-4-1-5-6(13-8)2-3-7(5)14/h1,4H,2-3H2
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6-Nitrobenzo[d]thiazole-2-carbonitrile
Cas Number: 188672-83-5Formula: C8H3N3O2SMolecular weight: 205.193Synonyms: 6-Nitrobenzo[d]thiazole-2-carbonitrile|188672-83-5|6-Nitro-2-benzothiazolecarbonitrile|2-Benzothiazo...SMILES: C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)C#NInChIKey: HBTRWBUZKBTJBI-UHFFFAOYSA-NInChI: InChI=1S/C8H3N3O2S/c9-4-8-10-6-2-1-5(11(12)13)3-7(6)14-8/h1-3H
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2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
Cas Number: 1832580-83-2Formula: C10H10N3O3ClMolecular weight: 255.66Synonyms: 1832580-83-2 | Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 2-chloro-7-[(1S)-1-methoxyethyl]- | (S)-...SMILES: CC(C1=C(C=NC2=CC(=NN21)Cl)C(=O)O)OCInChIKey: WQWUFYGKJQHKJL-YFKPBYRVSA-NInChI: InChI=1S/C10H10ClN3O3/c1-5(17-2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9/h3-5H,1-2H3,(H,15,16)/t5-/m0/s1
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1-[(2-Propynyloxy)methyl]pyrene
Cas Number: 1115084-83-7Formula: C20H14OMolecular weight: 270.33Synonyms: 1-(prop-2-ynoxymethyl)pyrene | MFCD28384153 | 1115084-83-7 | CS-0451178 | SCHEMBL20699461 | F08-0016...SMILES: C#CCOCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1InChIKey: PHLBHJYVJNAPAY-UHFFFAOYSA-NInChI: InChI=1S/C20H14O/c1-2-12-21-13-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h1,3-11H,12-13H2
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(S)-5-(Chloromethyl)oxazolidin-2-one
Cas Number: 169048-83-3Formula: C4H6ClNO2Molecular weight: 135.55Synonyms: (S)-5-(Chloromethyl)oxazolidin-2-one|169048-83-3|(S)-5-ChloroMethyl-2-oxazolidinone|(5S)-5-(chlorome...SMILES: C1C(OC(=O)N1)CClInChIKey: FNOZCEQRXKPZEZ-GSVOUGTGSA-NInChI: InChI=1S/C4H6ClNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7)/t3-/m1/s1
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4,4,5,5-tetramethyl-2-[4-(propan-2-yloxy)cyclohex-1-en-1-yl]-1,3,2-dioxaborolane
Cas Number: 1825371-83-2Formula: C15H27BO3Molecular weight: 266.19Synonyms: 4,4,5,5-tetramethyl-2-[4-(propan-2-yloxy)cyclohex-1-en-1-yl]-1,3,2-dioxaborolane | 1825371-83-2 | MF...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)OC(C)CInChIKey: VXDQYEZJNBGCKE-UHFFFAOYSA-NInChI: InChI=1S/C15H27BO3/c1-11(2)17-13-9-7-12(8-10-13)16-18-14(3,4)15(5,6)19-16/h7,11,13H,8-10H2,1-6H3
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3-(3-Chlorophenyl)propionaldehyde
Cas Number: 136415-83-3Formula: C9H9ClOMolecular weight: 168.62Synonyms: 136415-83-3|3-(3-chlorophenyl)propanal|3-(3-CHLOROPHENYL)PROPIONALDEHYDE|3-(3-Chloro-phenyl)-propion...SMILES: C1=CC(=CC(=C1)Cl)CCC=OInChIKey: GAMNINPBAOTMLA-UHFFFAOYSA-NInChI: InChI=1S/C9H9ClO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5-7H,2,4H2
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5-Bromo-2-napthoicacid
Cas Number: 1013-83-8Formula: C11H7BrO2Molecular weight: 251.09Synonyms: 5-BROMO-2-NAPHTHOIC ACID|1013-83-8|5-Bromonaphthalene-2-carboxylic acid|2-NAPHTHALENECARBOXYLIC ACID...SMILES: C1=CC2=C(C=CC(=C2)C(=O)O)C(=C1)BrInChIKey: QPOQPJDDJJNVRY-UHFFFAOYSA-NInChI: InChI=1S/C11H7BrO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-6H,(H,13,14)
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Flurbiprofen Axetil (mixture of diastereoisomers)
Cas Number: 91503-79-6Formula: C19H19FO4Molecular weight: 330.36Synonyms: DB14938 | flurbiprofen axetil | NCGC00182710-01 | Ropion (TN) | CAS-91503-79-6 | Tox21_113023_1 | FP...SMILES: CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OC(C)OC(=O)CInChIKey: ALIVXCSEERJYHU-UHFFFAOYSA-NInChI: InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3
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2-fluoro-5-methoxybenzoicacid
Cas Number: 367-83-9Formula: C8H7FO3Molecular weight: 170.14Synonyms: 2-Fluoro-5-methoxybenzoic acid|367-83-9|2-fluoro-5-methoxy-benzoic Acid|MFCD00272566|Benzoic acid, 2...SMILES: COC1=CC(=C(C=C1)F)C(=O)OInChIKey: REDSLTKMNCCQBC-UHFFFAOYSA-NInChI: InChI=1S/C8H7FO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
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Ethyl 1-bromocyclopropanecarboxylate
Cas Number: 89544-83-2Formula: C6H9BrO2Molecular weight: 193.04Synonyms: Ethyl 1-bromocyclopropanecarboxylate|89544-83-2|ETHYL 1-BROMOCYCLOPROPANE-1-CARBOXYLATE|MFCD01314227...SMILES: CCOC(=O)C1(CC1)BrInChIKey: OZANNKKBYBYGCQ-UHFFFAOYSA-NInChI: InChI=1S/C6H9BrO2/c1-2-9-5(8)6(7)3-4-6/h2-4H2,1H3
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2-oxabicyclo[2.2.2]octan-4-ylmethanamine;hydrochloride
Cas Number: 2173991-83-6Synonyms: 2173991-83-6 | 1-{2-oxabicyclo[2.2.2]octan-4-yl}methanamine hydrochloride | 1-{2-oxabicyclo[2.2.2]oc...SMILES: C1CC2(CCC1OC2)CN.ClInChIKey: JKKLXLRNQYIDQD-UHFFFAOYSA-NInChI: InChI=1S/C8H15NO.ClH/c9-5-8-3-1-7(2-4-8)10-6-8;/h7H,1-6,9H2;1H
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3-Bromo-2-methylbenzotrifluoride
Cas Number: 69902-83-6Formula: C8H6BrF3Molecular weight: 239.04Synonyms: 69902-83-6|1-bromo-2-methyl-3-(trifluoromethyl)benzene|2-methyl-3-(trifluoromethyl)bromobenzene|3-Br...SMILES: CC1=C(C=CC=C1Br)C(F)(F)FInChIKey: OYFKTZQGAWXNTI-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrF3/c1-5-6(8(10,11)12)3-2-4-7(5)9/h2-4H,1H3
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1-(5-Bromo-2-methoxyphenylsulfonyl)piperidine
Cas Number: 295360-83-7Formula: C12H16BrNO3SMolecular weight: 334.2Synonyms: 295360-83-7|1-((5-Bromo-2-methoxyphenyl)sulfonyl)piperidine|1-(5-Bromo-2-methoxyphenylsulfonyl)piper...SMILES: COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCCC2InChIKey: JEBKVIMEQBQNPT-UHFFFAOYSA-NInChI: InChI=1S/C12H16BrNO3S/c1-17-11-6-5-10(13)9-12(11)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
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methyl 5-({[(tert-butoxy)carbonyl]amino}methyl)piperidine-2-carboxylate
Cas Number: 1291351-83-1Formula: C13H24N2O4Molecular weight: 272.35Synonyms: 1291351-83-1 | methyl 5-({[(tert-butoxy)carbonyl]amino}methyl)piperidine-2-carboxylate | Methyl 5-((...SMILES: CC(C)(C)OC(=O)NCC1CCC(NC1)C(=O)OCInChIKey: IUKCWZAMOFLESG-UHFFFAOYSA-NInChI: InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-9-5-6-10(14-7-9)11(16)18-4/h9-10,14H,5-8H2,1-4H3,(H,15,17)
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Exo1
Cas Number: 75541-83-2Formula: C15H12NFO3Molecular weight: 273.26Synonyms: Exo1|75541-83-2|461681-88-9|methyl 2-[(4-fluorobenzoyl)amino]benzoate|Exo-1|methyl 2-(4-fluorobenzam...SMILES: COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)FInChIKey: KIAPWMKFHIKQOZ-UHFFFAOYSA-NInChI: InChI=1S/C15H12FNO3/c1-20-15(19)12-4-2-3-5-13(12)17-14(18)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18)
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3-Hydroxymethylmorpholine
Cas Number: 106910-83-2Formula: C5H11NO2Molecular weight: 117.15Synonyms: 3-Hydroxymethylmorpholine|106910-83-2|Morpholin-3-ylmethanol|3-Morpholinemethanol|3-hydroxymethyl-mo...SMILES: C1COCC(N1)COInChIKey: UCDFBOLUCCNTDQ-UHFFFAOYSA-NInChI: InChI=1S/C5H11NO2/c7-3-5-4-8-2-1-6-5/h5-7H,1-4H2
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3-Bromo-2-mercapto-5-nitropyridine
Cas Number: 876489-83-7Formula: C5H3BrN2O2SMolecular weight: 235.1Synonyms: 876489-83-7|3-BROMO-2-MERCAPTO-5-NITROPYRIDINE|3-Bromo-5-nitropyridine-2-thiol|3-bromo-5-nitro-1H-py...SMILES: C1=C(C(=S)NC=C1[N+](=O)[O-])BrInChIKey: JLXXADZVLHJOSA-UHFFFAOYSA-NInChI: InChI=1S/C5H3BrN2O2S/c6-4-1-3(8(9)10)2-7-5(4)11/h1-2H,(H,7,11)
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2,2'-(Propane-1,3-diyldisulfinyl)diethanol
Cas Number: 76305-83-4Formula: C7H16O4S2Molecular weight: 228.33Synonyms: 2,2'-(Propane-1,3-diyldisulfinyl)diethanol|76305-83-4|2-[3-(2-hydroxyethylsulfinyl)propylsulfinyl]et...SMILES: C(CS(=O)CCO)CS(=O)CCOInChIKey: RTLNKGZGJSWXDA-UHFFFAOYSA-NInChI: InChI=1S/C7H16O4S2/c8-2-6-12(10)4-1-5-13(11)7-3-9/h8-9H,1-7H2
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3-METHOXYPHENYL ACETATE
Cas Number: 5451-83-2Formula: C9H10O3Molecular weight: 166.178Synonyms: 3-Methoxyphenyl acetate|5451-83-2|1-Acetoxy-3-methoxybenzene|(3-methoxyphenyl) acetate|Phenol, 3-met...SMILES: CC(=O)OC1=CC=CC(=C1)OCInChIKey: QQYNGKGFOZQMHD-UHFFFAOYSA-NInChI: InChI=1S/C9H10O3/c1-7(10)12-9-5-3-4-8(6-9)11-2/h3-6H,1-2H3
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5-Sulfosalicylic acid dihydrate
Formula: C7H6O6S·2H2OMolecular weight: 254.21Synonyms: 5965-83-3|5-Sulfosalicylic acid dihydrate|2-hydroxy-5-sulfobenzoic acid dihydrate|sulfosalicylic aci...SMILES: C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O.OInChIKey: BHDKTFQBRFWJKR-UHFFFAOYSA-NInChI: InChI=1S/C7H6O6S.2H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);2*1H2
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4-Methoxy-2-nitrobenzonitrile
Cas Number: 38469-83-9Formula: CH3OC6H3(NO2)CNMolecular weight: 178.14Synonyms: 4-Methoxy-2-nitrobenzonitrile|38469-83-9|2-Nitro-4-methoxybenzonitrile|4-CYANO-3-NITROANISOLE|MFCD00...SMILES: COC1=CC(=C(C=C1)C#N)[N+](=O)[O-]InChIKey: UUYPUFCWSUBTFP-UHFFFAOYSA-NInChI: InChI=1S/C8H6N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,1H3
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2-oxa-8-azaspiro[4.5]decane;hemi(oxalic acid)
Cas Number: 1951444-83-9Formula: 2[C8H15NO]·C2H2O4Molecular weight: 372.46Synonyms: 2-Oxa-8-azaspiro[4.5]decane hemioxalate | 1951444-83-9 | 2-Oxa-8-azaspiro[4.5]decane hemi(oxalic aci...SMILES: C1CNCCC12CCOC2.C1CNCCC12CCOC2.C(=O)(C(=O)O)OInChIKey: NLHCUGDZDSFXOZ-UHFFFAOYSA-NInChI: InChI=1S/2C8H15NO.C2H2O4/c2*1-4-9-5-2-8(1)3-6-10-7-8;3-1(4)2(5)6/h2*9H,1-7H2;(H,3,4)(H,5,6)
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Carmoxirole hydrochloride
Cas Number: 98323-83-2Formula: C24H26N2O2Molecular weight: 374.48Synonyms: Q27133117 | CAS-98323-83-2 | DTXSID0043892 | CARMOXIROLE | NCGC00092328-01 | SCHEMBL146312 | DTXCID8...SMILES: C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)O.ClInChIKey: LRJUHOBITQUXIO-UHFFFAOYSA-NInChI: InChI=1S/C24H26N2O2.ClH/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18;/h1-3,6-7,9-11,16-17,25H,4-5,8,12-15H2,(H,27,28);1H
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