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Search results for: '20665-85-4'
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Vanillin isobutyrate
Cas Number: 20665-85-4 EC Number: 243-956-6Formula: C12H14O4Molecular weight: 222.24SMILES: CC(C)C(=O)OC1=C(C=C(C=C1)C=O)OCInChIKey: BGKAKRUFBSTALK-UHFFFAOYSA-NInChI: InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3
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Ethyl 1-(N,N-dimethylsulfamoyl)-1H-imidazole-4-carboxylate
Cas Number: 132253-58-8Formula: C8H13N3O4SMolecular weight: 247.3Synonyms: ETHYL 1-(DIMETHYLSULFAMOYL)IMIDAZOLE-4-CARBOXYLATE | Ethyl 1-(dimethylsulfamoyl)-1H-imidazole-4-carb...SMILES: CCOC(=O)C1=CN(C=N1)S(=O)(=O)N(C)CInChIKey: IZEPURBGZDDOTQ-UHFFFAOYSA-NInChI: InChI=1S/C8H13N3O4S/c1-4-15-8(12)7-5-11(6-9-7)16(13,14)10(2)3/h5-6H,4H2,1-3H3
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5-Amino-4-bromo-1-methyl-1H-pyrazole
Cas Number: 105675-85-2Formula: C4H6BrN3Molecular weight: 176.02Synonyms: 4-Bromo-1-methyl-1H-pyrazol-5-amine|105675-85-2|3-Amino-4-bromo-2-methylpyrazole|4-bromo-2-methylpyr...SMILES: CN1C(=C(C=N1)Br)NInChIKey: ODFDZOQJRPDQDF-UHFFFAOYSA-NInChI: InChI=1S/C4H6BrN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3
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2-Bromo-4-methoxybenzoic acid
Cas Number: 74317-85-4Formula: C8H7BrO3Molecular weight: 231.04Synonyms: 2-bromo-4-methoxybenzoic acid|74317-85-4|2-Bromo-4-MethoxybenzoicAcid|74517-85-4|2-bromo-p-anisic ac...SMILES: COC1=CC(=C(C=C1)C(=O)O)BrInChIKey: SEJVMKLJNIKFAF-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
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3,3-dimethylazetidine;4-methylbenzenesulfonic acid
Cas Number: 91554-85-7Formula: C7H8O3S·C5H11NMolecular weight: 257.35Synonyms: 3,3-dimethylazetidine | 4-methylbenzenesulfonic acid | 91554-85-7 | F89204 | 3,3-DIMETHYLAZETIDINE 4...SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1(CNC1)CInChIKey: XMHQCARXBWPTJW-UHFFFAOYSA-NInChI: InChI=1S/C7H8O3S.C5H11N/c1-6-2-4-7(5-3-6)11(8,9)10;1-5(2)3-6-4-5/h2-5H,1H3,(H,8,9,10);6H,3-4H2,1-2H3
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(4R)-4-(aminomethyl)-1-methylpyrrolidin-2-one
Cas Number: 2165833-85-0Formula: C6H12N2OMolecular weight: 128.18Synonyms: (4R)-4-(aminomethyl)-1-methylpyrrolidin-2-one | 2165833-85-0 | E83492SMILES: CN1CC(CC1=O)CNInChIKey: RYPUQUNUTILSAZ-RXMQYKEDSA-NInChI: InChI=1S/C6H12N2O/c1-8-4-5(3-7)2-6(8)9/h5H,2-4,7H2,1H3/t5-/m1/s1
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4-nitropiperidine;hydrochloride
Cas Number: 1881295-85-7Formula: C5H11ClN2O2Molecular weight: 166.6Synonyms: 4-NITROPIPERIDINE HYDROCHLORIDE | 1881295-85-7 | 4-nitropiperidine | hydrochloride | 4-Nitropiperidi...SMILES: C1CNCCC1[N+](=O)[O-].ClInChIKey: JUUBXCYNOAXAIL-UHFFFAOYSA-NInChI: InChI=1S/C5H10N2O2.ClH/c8-7(9)5-1-3-6-4-2-5;/h5-6H,1-4H2;1H
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4-bromo-2,3-dimethyl-2H-indazole
Cas Number: 1159511-85-9Formula: C9H9BrN2Molecular weight: 225.09Synonyms: 4-Bromo-2,3-dimethyl-2H-indazole | 1159511-85-9 | 4-bromo-2,3-dimethylindazole | SCHEMBL16506376 | M...SMILES: CC1=C2C(=NN1C)C=CC=C2BrInChIKey: DZHIUSSSKAQHIW-UHFFFAOYSA-NInChI: InChI=1S/C9H9BrN2/c1-6-9-7(10)4-3-5-8(9)11-12(6)2/h3-5H,1-2H3
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4-Butylpiperidine, HCl
Cas Number: 372195-85-2Formula: C9H19N.ClHMolecular weight: 177.7Synonyms: 4-butylpiperidine hydrochloride|372195-85-2|4-n-Butylpiperidine Hydrochloride|4-butylpiperidine;hydr...SMILES: CCCCC1CCNCC1.ClInChIKey: PJZNWESBJXCGSK-UHFFFAOYSA-NInChI: InChI=1S/C9H19N.ClH/c1-2-3-4-9-5-7-10-8-6-9;/h9-10H,2-8H2,1H3;1H
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ethyl 2-(4-oxocyclohexyl)propanoate
Cas Number: 31180-85-5Formula: C11H18O3Molecular weight: 198.26Synonyms: ethyl 2-(4-oxocyclohexyl)propanoate | 31180-85-5 | ethyl2-(4-oxocyclohexyl)propanoate | MFCD27949166...SMILES: CCOC(=O)C(C)C1CCC(=O)CC1InChIKey: RRUJMJLHOSVNCM-UHFFFAOYSA-NInChI: InChI=1S/C11H18O3/c1-3-14-11(13)8(2)9-4-6-10(12)7-5-9/h8-9H,3-7H2,1-2H3
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3-(4-iodophenoxy)benzoic acid
Cas Number: 1406352-85-9Formula: C13H9O3IMolecular weight: 340.11Synonyms: 3-(4-iodophenoxy)benzoic acid | 1406352-85-9 | 3-(4-Iodophenoxy)benzoicacid | SCHEMBL24407807 | MFCD...SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)I)C(=O)OInChIKey: NAXUQVKYOBTJKN-UHFFFAOYSA-NInChI: InChI=1S/C13H9IO3/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8H,(H,15,16)
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4-bromobicyclo[2.2.1]heptane-1-carboxylic acid
Cas Number: 15448-85-8Formula: C8H11BrO2Molecular weight: 219.08Synonyms: 4-bromobicyclo[2.2.1]heptane-1-carboxylic acid | 15448-85-8 | MFCD24481116 | BS-43206 | 4-bromobicyc...SMILES: C1CC2(CCC1(C2)C(=O)O)BrInChIKey: DKZHMCMRZOJEHS-UHFFFAOYSA-NInChI: InChI=1S/C8H11BrO2/c9-8-3-1-7(5-8,2-4-8)6(10)11/h1-5H2,(H,10,11)
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1,1,1-trifluoro-4-methoxy-butan-2-one
Cas Number: 1410416-85-1Formula: C5H7O2F3Molecular weight: 156.1Synonyms: 1,1,1-trifluoro-4-methoxybutan-2-one | 1410416-85-1 | 1,1,1-trifluoro-4-methoxy-butan-2-one | SCHEMB...SMILES: COCCC(=O)C(F)(F)FInChIKey: OQZBRCSXDQJKHL-UHFFFAOYSA-NInChI: InChI=1S/C5H7F3O2/c1-10-3-2-4(9)5(6,7)8/h2-3H2,1H3
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4-Chloro-3-(trifluoromethoxy)phenol
Cas Number: 886500-85-2Formula: C7H4ClF3O2Molecular weight: 212.56Synonyms: 4-Chloro-3-(trifluoromethoxy)phenol|886500-85-2|4-chloro-3-trifluoromethoxyphenol|SCHEMBL363418|DTXS...SMILES: C1=CC(=C(C=C1O)OC(F)(F)F)ClInChIKey: ZLZLXAOLRWLDID-UHFFFAOYSA-NInChI: InChI=1S/C7H4ClF3O2/c8-5-2-1-4(12)3-6(5)13-7(9,10)11/h1-3,12H
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Phthalylsulfathiazole
Cas Number: 85-73-4Formula: C17H13N3O5S2Molecular weight: 403.43Synonyms: phthalylsulfathiazole|85-73-4|Sulfathalidine|Phthalylsulphathiazole|Phthalazol|Phthalylsulfonazole|C...SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)OInChIKey: PBMSWVPMRUJMPE-UHFFFAOYSA-NInChI: InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)
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Piperidinium bromide
Cas Number: 14066-85-4Formula: C5H11N.HBrMolecular weight: 166.06Synonyms: piperidine hydrobromide|Piperidine, hydrobromide|14066-85-4|Piperidinium bromide|piperidine;hydrobro...SMILES: C1CCNCC1.BrInChIKey: ROFVJSWBDQUQGW-UHFFFAOYSA-NInChI: InChI=1S/C5H11N.BrH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H
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3,3-difluoro-4-methoxy-pyrrolidine;hydrochloride
Cas Number: 1638764-85-8Synonyms: 1638764-85-8 | 3,3-Difluoro-4-methoxypyrrolidine hydrochloride | 3,3-difluoro-4-methoxypyrrolidinehy...SMILES: COC1CNCC1(F)F.ClInChIKey: ZAEGBCHRLKXDSD-UHFFFAOYSA-NInChI: InChI=1S/C5H9F2NO.ClH/c1-9-4-2-8-3-5(4,6)7;/h4,8H,2-3H2,1H3;1H
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4-Methoxy-2-nitrophenyl isocyanate
Cas Number: 117162-85-3Formula: CH3OC6H3(NO2)NCOMolecular weight: 194.14Synonyms: 1-isocyanato-4-methoxy-2-nitrobenzene|117162-85-3|4-Methoxy-2-nitrophenyl isocyanate|4-METHOXY-2-NIT...SMILES: COC1=CC(=C(C=C1)N=C=O)[N+](=O)[O-]InChIKey: FSQHKLWMIIFYNP-UHFFFAOYSA-NInChI: InChI=1S/C8H6N2O4/c1-14-6-2-3-7(9-5-11)8(4-6)10(12)13/h2-4H,1H3
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4-(Cyclopropylmethylsulfonyl)phenylboronic acid
Cas Number: 1175560-85-6Formula: C10H13BO4SMolecular weight: 240.1Synonyms: 1175560-85-6|4-(CYCLOPROPYLMETHYLSULFONYL)PHENYLBORONIC ACID|(4-((Cyclopropylmethyl)sulfonyl)phenyl)...SMILES: B(C1=CC=C(C=C1)S(=O)(=O)CC2CC2)(O)OInChIKey: DZBUTJPNUVQODY-UHFFFAOYSA-NInChI: InChI=1S/C10H13BO4S/c12-11(13)9-3-5-10(6-4-9)16(14,15)7-8-1-2-8/h3-6,8,12-13H,1-2,7H2
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cis-3-(benzyloxy)cyclopentan-1-ol
Cas Number: 212270-85-4Formula: C12H16O2Molecular weight: 192.26Synonyms: cis-3-(benzyloxy)cyclopentan-1-ol | 212270-85-4 | (1S,3R)-3-phenylmethoxycyclopentan-1-ol | SCHEMBL1...SMILES: C1CC(CC1O)OCC2=CC=CC=C2InChIKey: SFIICXXRMNDRQC-NWDGAFQWSA-NInChI: InChI=1S/C12H16O2/c13-11-6-7-12(8-11)14-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12+/m0/s1
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N-[4-(Aminomethyl)benzyl]-N,N--dimethylamine
Cas Number: 34490-85-2Formula: C10H16N2Molecular weight: 164.3Synonyms: 34490-85-2|4-Dimethylaminomethylbenzylamine|4-Dimethylaminomethyl-benzylamine|1-(4-(Aminomethyl)phen...SMILES: CN(C)CC1=CC=C(C=C1)CNInChIKey: LYABQIBGTULUFB-UHFFFAOYSA-NInChI: InChI=1S/C10H16N2/c1-12(2)8-10-5-3-9(7-11)4-6-10/h3-6H,7-8,11H2,1-2H3
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Medroxyprogesterone, Agonist of Progesterone receptor
Cas Number: 520-85-4Formula: C22H32O3Molecular weight: 344.5Synonyms: medroxyprogesterone|520-85-4|Medroxyprogesteron|Medroxiprogesteronum|Medroxiprogesterona|Medroxyprog...SMILES: CC1CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)CInChIKey: FRQMUZJSZHZSGN-HBNHAYAOSA-NInChI: InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
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4-Chloro-2-fluoro-6-methoxybenzaldehyde
Cas Number: 1158916-85-8Formula: C8H6ClFO2Molecular weight: 188.58Synonyms: 4-Chloro-2-fluoro-6-methoxybenzaldehyde|1158916-85-8|Benzaldehyde, 4-chloro-2-fluoro-6-methoxy-|SCHE...SMILES: COC1=C(C(=CC(=C1)Cl)F)C=OInChIKey: ARMRZTZXCQORCY-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClFO2/c1-12-8-3-5(9)2-7(10)6(8)4-11/h2-4H,1H3
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ethyl 4-hydrazinobenzoate;hydrochloride
Cas Number: 40566-85-6Formula: C9H13ClN2O2Molecular weight: 216.66Synonyms: Ethyl 4-hydrazinylbenzoate hydrochloride | 40566-85-6 | 4-Hydrazino-benzoic acid ethyl ester hydroch...SMILES: CCOC(=O)C1=CC=C(C=C1)NN.ClInChIKey: BTZOWQCBGLZWSD-UHFFFAOYSA-NInChI: InChI=1S/C9H12N2O2.ClH/c1-2-13-9(12)7-3-5-8(11-10)6-4-7;/h3-6,11H,2,10H2,1H3;1H
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