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Search results for: '21(3/4)4544'
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4-Hydroxy-3-nitrobenzonitrile
Formula: C7H4N2O3Molecular weight: 164.12Synonyms: 2-Nitro-4-cyano phenol | InChI=1/C7H4N2O3/c8-4-5-1-2-7(10)6(3-5)9(11)12/h1-3,10 | A5848 | FT-0618647...SMILES: C1=CC(=C(C=C1C#N)[N+](=O)[O-])OInChIKey: INBLGVOPOSGVTA-UHFFFAOYSA-NInChI: InChI=1S/C7H4N2O3/c8-4-5-1-2-7(10)6(3-5)9(11)12/h1-3,10H
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3-Chloro-4-methylphenyl Isocyanate
Cas Number: 28479-22-3 EC Number: 249-050-7Formula: C8H6ClNOMolecular weight: 167.59Synonyms: 3-Chloro-4-methylphenyl isocyanate [UN2236] [Poison] | UN2236 | 3-chlor-4-methylphenylisocyanat | P...SMILES: CC1=C(C=C(C=C1)N=C=O)ClInChIKey: UKTKKMZDESVUEE-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3
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Methyl 4-Fluoro-3-nitrobenzoate
Cas Number: 329-59-9Formula: C8H6FNO4Molecular weight: 199.14Synonyms: F3358-0070 | Methyl 4-fluoro-3-nitrobenzoate | Methyl 4-fluoro-3-nitro-benzoate | GS-3329 | VU061224...SMILES: COC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]InChIKey: CNJJSTPBUHAEFH-UHFFFAOYSA-NInChI: InChI=1S/C8H6FNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3
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2-Hydroxymethyl-3-methyl-4-(3-methoxypropanoxyl)pyridine
Cas Number: 118175-10-3Formula: C11H17NO3Molecular weight: 211.3Synonyms: 118175-10-3|(4-(3-Methoxypropoxy)-3-methylpyridin-2-yl)methanol|2-Hydroxymethyl-4-(3-methoxypropoxy)...SMILES: CC1=C(C=CN=C1CO)OCCCOCInChIKey: OLBSXXZEMRBFIG-UHFFFAOYSA-NInChI: InChI=1S/C11H17NO3/c1-9-10(8-13)12-5-4-11(9)15-7-3-6-14-2/h4-5,13H,3,6-8H2,1-2H3
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4-Fluoro-3-methylaniline
Formula: C7H8FNMolecular weight: 125.14Synonyms: 4-fluoro-3-methyl aniline | PS-9191 | UNII-SHJ88XWX75 | 4-Fluoro-3-methylaniline, 97% | NSC 88319 | ...SMILES: CC1=C(C=CC(=C1)N)FInChIKey: NYMDPDNETOLVBS-UHFFFAOYSA-NInChI: InChI=1S/C7H8FN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
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3-Methoxy-4-nitrobenzyl alcohol
Cas Number: 80866-88-2Formula: CH3OC6H3(NO2)CH2OHMolecular weight: 183.16Synonyms: Benzyl alcohol, 3-methoxy-4-nitro- | GS-5563 | 3-Methoxy-4-nitrobenzyl alcohol, 99% | Benzenemethano...SMILES: COC1=C(C=CC(=C1)CO)[N+](=O)[O-]InChIKey: AADYWCBPJZAJNU-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4,10H,5H2,1H3
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3-Methyl-4-nitrobenzonitrile
Cas Number: 96784-54-2Formula: C8H6N2O2Molecular weight: 162.15Synonyms: 3-Methyl-4-nitrobenzonitrile|96784-54-2|Benzonitrile, 3-methyl-4-nitro-|4-Nitro-m-tolunitrile|MFCD00...SMILES: CC1=C(C=CC(=C1)C#N)[N+](=O)[O-]InChIKey: IHVNKSXTJZNBQA-UHFFFAOYSA-NInChI: InChI=1S/C8H6N2O2/c1-6-4-7(5-9)2-3-8(6)10(11)12/h2-4H,1H3
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4-Chloro-3-nitrotoluene
Formula: C7H6ClNO2Molecular weight: 171.58Synonyms: 3-Nitro-4-chlorotoluene | AC-12204 | AKOS009159380 | NSC60721 | NSC-60721 | 4-Chloro-3-nitrotoluene,...SMILES: CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]InChIKey: NWESJZZPAJGHRZ-UHFFFAOYSA-NInChI: InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
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4-Chloro-3-(trifluoromethyl)phenyl isocyanate
Cas Number: 327-78-6Formula: ClC6H3(CF3)NCOMolecular weight: 221.56Synonyms: DTXSID70369818 | FT-0602816 | 3-trifluoromethyl- 4-chlorophenylisocyanate | 3-trifluoromethyl-4-chlo...SMILES: C1=CC(=C(C=C1N=C=O)C(F)(F)F)ClInChIKey: NBJZEUQTGLSUOB-UHFFFAOYSA-NInChI: InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
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4-cholesten-3-one
Formula: C27H44OMolecular weight: 384.638Synonyms: D94645 | LMST01010015 | methyl 5-methyl-2H-pyrazole-3-carboxylate | NSC-122418 | 4-cholestene-3-one ...SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)CInChIKey: NYOXRYYXRWJDKP-GYKMGIIDSA-NInChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
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4′-Bromo-3-chloropropiophenone
Cas Number: 31736-73-9 EC Number: 250-784-5Formula: BrC6H4COCH2CH2ClMolecular weight: 247.52Synonyms: J-018527 | 1-(4-Bromo-phenyl)-3-chloro-propan-1-one | 1-(4-bromophenyl)-3-chloropropan-1-one | 4-(3-...SMILES: C1=CC(=CC=C1C(=O)CCCl)BrInChIKey: SYWQQEVHZPPLNQ-UHFFFAOYSA-NInChI: InChI=1S/C9H8BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5-6H2
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3-Hydroxypyridine-4-carboxaldehyde
Cas Number: 1849-54-3Formula: C6H5NO2Molecular weight: 123.1Synonyms: 3-Hydroxypyridine-4-carboxaldehyde|1849-54-3|3-hydroxyisonicotinaldehyde|3-hydroxypyridine-4-carbald...SMILES: C1=CN=CC(=C1C=O)OInChIKey: NVLPDIRQWJSXLZ-UHFFFAOYSA-NInChI: InChI=1S/C6H5NO2/c8-4-5-1-2-7-3-6(5)9/h1-4,9H
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3-Fluoro-4-hydroxybenzoic acid
Cas Number: 350-29-8Formula: C7H5FO3Molecular weight: 156.11Synonyms: 4-hydroxy-3-fluorobenzoic acid | Oprea1_411304 | 3pcf | FHB | STK082814 | 3-Fluoro-4-hydroxybenzoic ...SMILES: C1=CC(=C(C=C1C(=O)O)F)OInChIKey: IUSDEKNMCOUBEE-UHFFFAOYSA-NInChI: InChI=1S/C7H5FO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
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4'-Chloro-3'-nitroacetophenone
Formula: ClC6H3(NO2)COCH3Molecular weight: 199.59Synonyms: 1-(4-Chloro-3-nitrophenyl)ethanone | 3'-NITRO-4'-CHLOROACETOPHENONE | 3-nitro-4-chloroacetophenone |...SMILES: CC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]InChIKey: YEVPHFIFGUWSMG-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
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4-Fluoro-3-nitroaniline
Cas Number: 364-76-1Formula: C6H5FN2O2Molecular weight: 156.12Synonyms: 4-Fluoro-3-nitrobenzenamine | NCGC00357045-01 | 3-nitro-4-fluoro aniline | 4-fluoro- 3-nitroaniline ...SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])FInChIKey: LLIOADBCFIXIEU-UHFFFAOYSA-NInChI: InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
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4-Bromo-3-methylphenol
Cas Number: 14472-14-1 EC Number: 238-464-3Formula: C7H7BrOMolecular weight: 187.03Synonyms: 4-bromo-5-methyl-phenol | 4-bromo-3-methyl phenol | 9KTP3W6RV2 | AS-17315 | SB33667 | SCHEMBL49999 |...SMILES: CC1=C(C=CC(=C1)O)BrInChIKey: GPOQODYGMUTOQL-UHFFFAOYSA-NInChI: InChI=1S/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
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3',4'-Dimethoxyacetophenone
Formula: C10H12O3Molecular weight: 180.2Synonyms: 3',4'-Dimethoxyacetophenone, >=98% | 4'-Hydroxy-3'-methoxyacetophenone, methyl ether | AI3-11163 | A...SMILES: CC(=O)C1=CC(=C(C=C1)OC)OCInChIKey: IQZLUWLMQNGTIW-UHFFFAOYSA-NInChI: InChI=1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3
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3-Ethoxy-4-methoxybenzaldehyde
Cas Number: 1131-52-8Formula: C10H12O3Molecular weight: 180.2Synonyms: (3-ethoxy-4-methoxy-phenyl)-methanone | BB 0256993 | 1-benzyl-1,4-dihydro-pyridine-3-carboxamide | S...SMILES: CCOC1=C(C=CC(=C1)C=O)OCInChIKey: VAMZHXWLGRQSJS-UHFFFAOYSA-NInChI: InChI=1S/C10H12O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7H,3H2,1-2H3
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3-Bromo-4-methylpyridine
Cas Number: 3430-22-6Formula: C6H6BrNMolecular weight: 172.02Synonyms: MFCD00082592 | A4793 | W-202405 | 3-Bromo-4-methylpyridine, 96% | AM20070029 | 1-PYRROLIDIN-2-(N-CBZ...SMILES: CC1=C(C=NC=C1)BrInChIKey: GSQZOLXWFQQJHJ-UHFFFAOYSA-NInChI: InChI=1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
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Boc-(s)-3-amino-3-(4-methoxy-phenyl)-propionic acid
Cas Number: 159990-12-2Formula: C15H21NO5Molecular weight: 295.3Synonyms: 159990-12-2|(S)-3-((tert-Butoxycarbonyl)amino)-3-(4-methoxyphenyl)propanoic acid|Boc-(S)-3-Amino-3-(...SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)OCInChIKey: OPAAZWPTEYZZIW-LBPRGKRZSA-NInChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(17)18)10-5-7-11(20-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
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3-Methyl-4-pentenoic acid
Cas Number: 1879-03-4Formula: C6H10O2Molecular weight: 114.14Synonyms: 3-methyl-4-pentenoic acid | 3-methyl-pent-4-enoic acid | 3-methylpent-4-enoic acid | LMFA01020113 | ...SMILES: CC(CC(=O)O)C=CInChIKey: QNPZXLANENFTFK-UHFFFAOYSA-NInChI: InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
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3-(4-Carboxyphenyl)propionic Acid
Cas Number: 38628-51-2Formula: C10H10O4Molecular weight: 194.19Synonyms: 4-Carboxyhydrocinnamic acid | MFCD00016560 | Carboxyphenylpropionicacid; 985 | F9995-0938 | Benzenep...SMILES: C1=CC(=CC=C1CCC(=O)O)C(=O)OInChIKey: QSPCOYVUYYFWAU-UHFFFAOYSA-NInChI: InChI=1S/C10H10O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)(H,13,14)
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4-Bromo-3-methylbenzoic acid
Formula: C8H7BrO2Molecular weight: 215.04Synonyms: W-104331 | YD97FX0LRF | Q27451078 | STR06302 | 4-Bromo-3-methylbenzoic acid, 97% | 4-Bromo-m-toluic ...SMILES: CC1=C(C=CC(=C1)C(=O)O)BrInChIKey: KWVXDZLVCISXIB-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
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3-Methyl-4-nitrobenzyl alcohol
Cas Number: 80866-75-7 EC Number: 279-578-3Formula: C8H9NO3Molecular weight: 167.16Synonyms: SY077477 | (3-Methyl-4-nitrophenyl)methanol;3-Methyl-4-nitrobenzyl Alcohol;Benzenemethanol,3-methyl-...SMILES: CC1=C(C=CC(=C1)CO)[N+](=O)[O-]InChIKey: KOVQGYQQVNCUBR-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,10H,5H2,1H3
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