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Search results for: '99570-78-2'
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4-Acetamido-2-chloro-5-nitrotoluene
Cas Number: 7149-78-2Formula: C9H9ClN2O3Molecular weight: 228.6Synonyms: n-(5-chloro-4-methyl-2-nitrophenyl)acetamide|7149-78-2|4-Acetamido-2-chloro-5-nitrotoluene|MFCD00034...SMILES: CC1=CC(=C(C=C1Cl)NC(=O)C)[N+](=O)[O-]InChIKey: KEELZFXRQAZCJA-UHFFFAOYSA-NInChI: InChI=1S/C9H9ClN2O3/c1-5-3-9(12(14)15)8(4-7(5)10)11-6(2)13/h3-4H,1-2H3,(H,11,13)
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Diethyl 2-oxo-3-propylsuccinate
Cas Number: 26103-78-6Formula: C11H18O5Molecular weight: 230.26Synonyms: Diethyl 2-oxo-3-propylsuccinate|26103-78-6|diethyl 2-oxo-3-propylbutanedioate|Butanedioic acid, 2-ox...SMILES: CCCC(C(=O)C(=O)OCC)C(=O)OCCInChIKey: FQQZGZZZSPUFKV-UHFFFAOYSA-NInChI: InChI=1S/C11H18O5/c1-4-7-8(10(13)15-5-2)9(12)11(14)16-6-3/h8H,4-7H2,1-3H3
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2-Amino-5-methylnicotinonitrile
Cas Number: 38076-78-7Formula: C7H7N3Molecular weight: 133.15Synonyms: 2-Amino-5-methylnicotinonitrile|38076-78-7|2-Amino-3-cyano-5-picoline|2-amino-5-methylpyridine-3-car...SMILES: CC1=CC(=C(N=C1)N)C#NInChIKey: OOKFORLRLLVDOD-UHFFFAOYSA-NInChI: InChI=1S/C7H7N3/c1-5-2-6(3-8)7(9)10-4-5/h2,4H,1H3,(H2,9,10)
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2-bromo-5-iodo-pyridin-4-amine
Cas Number: 1300750-78-0Formula: C5H4N2BrIMolecular weight: 298.91Synonyms: 2-bromo-5-iodopyridin-4-amine | 1300750-78-0 | 4-Amino-2-bromo-5-iodopyridine | 2-Bromo-5-iodo-pyrid...SMILES: C1=C(C(=CN=C1Br)I)NInChIKey: MFFZOIVDCPWWOI-UHFFFAOYSA-NInChI: InChI=1S/C5H4BrIN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)
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4-fluoropyridine-2-carboxylic acid
Cas Number: 886371-78-4Formula: C6H4FNO2Molecular weight: 141.1Synonyms: 4-Fluoropicolinic acid|886371-78-4|4-Fluoropyridine-2-carboxylic acid|4-FLUORO-2-PYRIDINECARBOXYLIC ...SMILES: C1=CN=C(C=C1F)C(=O)OInChIKey: DOJINJNLDNIFBN-UHFFFAOYSA-NInChI: InChI=1S/C6H4FNO2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H,9,10)
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1-BENZOYL-2-THIOBIURET
Cas Number: 41835-24-9Formula: C9H9N3O2SMolecular weight: 223.255Synonyms: 1-Benzoyl-2-thiobiuret|41835-24-9|N-(carbamoylcarbamothioyl)benzamide|34277-78-6|1-benzoylthiobiuret...SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC(=O)NInChIKey: XZWNNLCHQSTQJP-UHFFFAOYSA-NInChI: InChI=1S/C9H9N3O2S/c10-8(14)12-9(15)11-7(13)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14,15)
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Anthraquinone-2-carboxylic Acid
Cas Number: 117-78-2Formula: C15H8O4Molecular weight: 252.23Synonyms: Anthraquinone-2-carboxylic acid|117-78-2|9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid|2-Anthr...SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OInChIKey: ASDLSKCKYGVMAI-UHFFFAOYSA-NInChI: InChI=1S/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19)
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S-Carboxyethylisothiuronium Chloride
Cas Number: 5425-78-5Formula: C3H7ClN2O2SMolecular weight: 170.62Synonyms: 5425-78-5|S-Carboxyethylisothiuronium chloride|2-(Carbamimidoylthio)acetic acid hydrochloride|{[amin...SMILES: C(C(=O)O)SC(=N)N.ClInChIKey: DZLYRGFLNXMMIT-UHFFFAOYSA-NInChI: InChI=1S/C3H6N2O2S.ClH/c4-3(5)8-1-2(6)7;/h1H2,(H3,4,5)(H,6,7);1H
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2-Chloro-4-iodonicotinic acid
Cas Number: 544671-78-5Formula: C6H3ClINO2Molecular weight: 283.45Synonyms: 2-CHLORO-4-IODONICOTINIC ACID|544671-78-5|2-Chloro-4-Iodopyridine-3-Carboxylic Acid|2-Chloro-4-iodo-...SMILES: C1=CN=C(C(=C1I)C(=O)O)ClInChIKey: XOMBFOCJXYZRSI-UHFFFAOYSA-NInChI: InChI=1S/C6H3ClINO2/c7-5-4(6(10)11)3(8)1-2-9-5/h1-2H,(H,10,11)
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tert-butyl 3-cyano-3-(2-pyridyl)piperidine-1-carboxylate
Cas Number: 2680679-78-9Formula: C16H21N3O2Molecular weight: 287.36Synonyms: tert-butyl 3-cyano-3-(2-pyridyl)piperidine-1-carboxylate | 2680679-78-9 | E80075 | EN300-28287589 | ...SMILES: CC(C)(C)OC(=O)N1CCCC(C1)(C#N)C2=CC=CC=N2InChIKey: WZUYFPIYSLMKTI-UHFFFAOYSA-NInChI: InChI=1S/C16H21N3O2/c1-15(2,3)21-14(20)19-10-6-8-16(11-17,12-19)13-7-4-5-9-18-13/h4-5,7,9H,6,8,10,12H2,1-3H3
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(S)-(-)-1,1,1,2,2-Pentafluorododecan-3-ol
Cas Number: 307531-78-8Formula: CH3(CH2)8CH(OH)CF2CF3Molecular weight: 276.29Synonyms: 307531-78-8|(S)-(-)-1,1,1,2,2-Pentafluorododecan-3-ol|(3S)-1,1,1,2,2-PENTAFLUORODODECAN-3-OL|(S)-(-)...SMILES: CCCCCCCCCC(C(C(F)(F)F)(F)F)OInChIKey: YFCKZQQCWZNEFP-JTQLQIEISA-NInChI: InChI=1S/C12H21F5O/c1-2-3-4-5-6-7-8-9-10(18)11(13,14)12(15,16)17/h10,18H,2-9H2,1H3/t10-/m0/s1
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4’-Isobutylacetophenone
Cas Number: 38861-78-8Formula: C12H16OMolecular weight: 176.26Synonyms: 4'-Isobutylacetophenone|38861-78-8|4-Isobutylacetophenone|1-(4-Isobutylphenyl)ethanone|p-iso-Butylac...SMILES: CC(C)CC1=CC=C(C=C1)C(=O)CInChIKey: KEAGRYYGYWZVPC-UHFFFAOYSA-NInChI: InChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3
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2-Methyl-2-(2-naphthyloxy)propanoic acid
Cas Number: 7756-78-7Formula: C14H14O3Molecular weight: 230.27Synonyms: 2-methyl-2-(2-naphthyloxy)propanoic acid|7756-78-7|2-methyl-2-naphthalen-2-yloxypropanoic acid|2-met...SMILES: CC(C)(C(=O)O)OC1=CC2=CC=CC=C2C=C1InChIKey: RVAWSQIHNATWNO-UHFFFAOYSA-NInChI: InChI=1S/C14H14O3/c1-14(2,13(15)16)17-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3,(H,15,16)
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2-Amino-3,5-difluorobenzoic acid
Cas Number: 126674-78-0Formula: C7H5F2NO2Molecular weight: 173.1Synonyms: 2-Amino-3,5-difluorobenzoic acid|126674-78-0|2-Amino-3,5-difluoro-benzoic acid|Benzoic acid, 2-amino...SMILES: C1=C(C=C(C(=C1C(=O)O)N)F)FInChIKey: NORJRQVQTYNLAO-UHFFFAOYSA-NInChI: InChI=1S/C7H5F2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
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2-Bromo-6-methylbenzonitrile
Cas Number: 77532-78-6Formula: C8H6BrNMolecular weight: 196.04Synonyms: 2-BROMO-6-METHYLBENZONITRILE|77532-78-6|MFCD09834775|Brom-a-cyanotoluol|SCHEMBL584047|DTXSID50604779...SMILES: CC1=C(C(=CC=C1)Br)C#NInChIKey: AEQBTIZIDSFIGT-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3
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ethyl 4-methylpiperidine-2-carboxylate hydrochloride
Cas Number: 68285-79-0Synonyms: 68285-79-0 | Ethyl 4-methylpiperidine-2-carboxylate hydrochloride | ethyl 4-methylpiperidine-2-carbo...SMILES: CCOC(=O)C1CC(CCN1)C.ClInChIKey: GEFAHHDKORGVAP-UHFFFAOYSA-NInChI: InChI=1S/C9H17NO2.ClH/c1-3-12-9(11)8-6-7(2)4-5-10-8;/h7-8,10H,3-6H2,1-2H3;1H
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Phosphonoacetic acid
Cas Number: 4408-78-0Formula: (HO)2P(O)CH2CO2HMolecular weight: 140.03Synonyms: Phosphonoacetic acid|4408-78-0|Fosfonet|2-phosphonoacetic acid|phosphonoacetate|Acetic acid, phospho...SMILES: C(C(=O)O)P(=O)(O)OInChIKey: XUYJLQHKOGNDPB-UHFFFAOYSA-NInChI: InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
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3-Amino-2,6-difluorobenzonitrile
Cas Number: 143879-78-1Formula: C7H4F2N2Molecular weight: 154.1Synonyms: 3-Amino-2,6-difluorobenzonitrile|143879-78-1|2,4-difluoro-3-cyanoaniline|Benzonitrile, 3-amino-2,6-d...SMILES: C1=CC(=C(C(=C1N)F)C#N)FInChIKey: RXLFDOQOCRNACG-UHFFFAOYSA-NInChI: InChI=1S/C7H4F2N2/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2H,11H2
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2-tert-butyl 8a-methyl (8aS)-6-oxo-1,2,3,4,6,7,8,8a-octahydroisoquinoline-2,8a-dicarboxylate
Cas Number: 445312-78-7Formula: C16H23NO5Molecular weight: 309.362Synonyms: 445312-78-7|2-tert-butyl 8a-methyl (8aS)-6-oxo-1,2,3,4,6,7,8,8a-octahydroisoquinoline-2,8a-dicarboxy...SMILES: CC(C)(C)OC(=O)N1CCC2=CC(=O)CCC2(C1)C(=O)OCInChIKey: DEMROIUOHAMDAU-MRXNPFEDSA-NInChI: InChI=1S/C16H23NO5/c1-15(2,3)22-14(20)17-8-6-11-9-12(18)5-7-16(11,10-17)13(19)21-4/h9H,5-8,10H2,1-4H3/t16-/m1/s1
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2-Chloro-3,4-dimethoxypyridine
Cas Number: 101664-59-9Formula: C7H8ClNO2Molecular weight: 173.6Synonyms: 2-Chloro-3,4-dimethoxypyridine hydrochloride|101664-59-9|352534-78-2|2-Chloro-3,4-dimethoxypyridine ...SMILES: COC1=C(C(=NC=C1)Cl)OC.ClInChIKey: AOBQXXVCWDAJFE-UHFFFAOYSA-NInChI: InChI=1S/C7H8ClNO2.ClH/c1-10-5-3-4-9-7(8)6(5)11-2;/h3-4H,1-2H3;1H
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Tulobuterol, Beta-2 adrenergic receptor agonist
Cas Number: 41570-61-0Formula: C12H18ClNOMolecular weight: 227.73Synonyms: 2-(tert-Butylamino)-1-(2-chlorophenyl)ethanol # | Q909353 | Tulobuterol [INN:BAN:JAN] | C-78 (free b...SMILES: CC(C)(C)NCC(C1=CC=CC=C1Cl)OInChIKey: YREYLAVBNPACJM-UHFFFAOYSA-NInChI: InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3
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(2S,4R)-Boc-4-phenyl-pyrrolidine-2-carboxylic acid
Cas Number: 336818-78-1Formula: C16H21NO4Molecular weight: 291.3Synonyms: 336818-78-1|(2S,4R)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid|(2S,4R)-Boc-4-phen...SMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)O)C2=CC=CC=C2InChIKey: JDAQDIQHICLYKH-STQMWFEESA-NInChI: InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13-/m0/s1
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2,2-Bis(4-aminophenyl)hexafluoropropane
Cas Number: 1095-78-9Formula: C15H12F6N2Molecular weight: 334.27Synonyms: 1095-78-9|2,2-Bis(4-aminophenyl)hexafluoropropane|4,4'-(Perfluoropropane-2,2-diyl)dianiline|4,4'-(He...SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C(F)(F)F)C(F)(F)F)NInChIKey: BEKFRNOZJSYWKZ-UHFFFAOYSA-NInChI: InChI=1S/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8H,22-23H2
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Methyl 5-bromo-2-(difluoromethoxy)benzoate
Cas Number: 1131587-78-4Formula: C9H7BrF2O3Molecular weight: 281.05Synonyms: methyl 5-bromo-2-(difluoromethoxy)benzoate|1131587-78-4|MFCD11110847|SCHEMBL15270595|DTXSID00661019|...SMILES: COC(=O)C1=C(C=CC(=C1)Br)OC(F)FInChIKey: UBPSOKPHMMEARW-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrF2O3/c1-14-8(13)6-4-5(10)2-3-7(6)15-9(11)12/h2-4,9H,1H3
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