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Search results for: '21(3/4)4544'
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4-Chloropyridine-3-carboxylic acid
Cas Number: 10177-29-4Formula: C6H4ClNO2Molecular weight: 157.56Synonyms: SCHEMBL7533 | AB03598 | 4-Chloronicotinicacid | 4-Chloro-3-pyridinecarboxylic acid | AS-5394 | IMRGV...SMILES: C1=CN=CC(=C1Cl)C(=O)OInChIKey: IMRGVWZLCZERSQ-UHFFFAOYSA-NInChI: InChI=1S/C6H4ClNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10)
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4'-Fluoro-3'-methylacetophenone
Cas Number: 369-32-4Formula: C9H9FOMolecular weight: 152.17Synonyms: 3-methyl-4-fluorophenone | 4' -fluor-3 '-methyl acetophenoneSMILES: CC1=C(C=CC(=C1)C(=O)C)FInChIKey: SMSVMBMJEYTUOZ-UHFFFAOYSA-NInChI: InChI=1S/C9H9FO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,1-2H3
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3-Chloro-4-fluoroiodobenzene
Cas Number: 156150-67-3Formula: ClC6H3(F)IMolecular weight: 256.44Synonyms: 1-chloro-2-fluoro-5-iodobenzene | 2-chloro-1-fluoro -4-iodobenzene | MFCD00042210 | SY061583 | FT-06...SMILES: C1=CC(=C(C=C1I)Cl)FInChIKey: OMASDGWBVAVFQZ-UHFFFAOYSA-NInChI: InChI=1S/C6H3ClFI/c7-5-3-4(9)1-2-6(5)8/h1-3H
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3-Fluoro-4-hydroxy-5-methoxybenzaldehyde
Cas Number: 79418-78-3Formula: FC6H2(OH)(OCH3)CHOMolecular weight: 170.14Synonyms: 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde # | 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde, 97% | AKOS005...SMILES: COC1=C(C(=CC(=C1)C=O)F)OInChIKey: OOGOFUKAJDPHDJ-UHFFFAOYSA-NInChI: InChI=1S/C8H7FO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
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Methyl 3-(4-hydroxyphenyl)propionate
Cas Number: 5597-50-2Formula: C10H12O3Molecular weight: 180.2Synonyms: Methyl phloretate | methyl 3-(4-hydroxyphenyl) propionate | METHYL-3-(4-HYDROXYPHENYL)PROPIONATE | m...SMILES: COC(=O)CCC1=CC=C(C=C1)OInChIKey: XRAMJHXWXCMGJM-UHFFFAOYSA-NInChI: InChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3
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Methyl 4-amino-3-hydroxybenzoate
Cas Number: 63435-16-5Formula: C8H9NO3Molecular weight: 167.2Synonyms: Methyl 4-amino-3-hydroxybenzoate|63435-16-5|Benzoic acid, 4-amino-3-hydroxy-, methyl ester|MFCD00017...SMILES: COC(=O)C1=CC(=C(C=C1)N)OInChIKey: OCZXDVNSNDITBS-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,9H2,1H3
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Methyl 3-bromo-4-hydroxybenzoate
Cas Number: 29415-97-2Formula: C8H7BrO3Molecular weight: 231.05Synonyms: METHYL 3-BROMO-4-HYDROXYBENZOATE|29415-97-2|Benzoic acid, 3-bromo-4-hydroxy-, methyl ester|methyl 3-...SMILES: COC(=O)C1=CC(=C(C=C1)O)BrInChIKey: RKUNSPWAQIUGEZ-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
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4-Iodo-3-nitrotoluene
Cas Number: 5326-39-6Formula: IC6H3(CH3)NO2Molecular weight: 263.03Synonyms: AS-17798 | A829484 | SCHEMBL771632 | NSC 294 | 4-Iodo-3-nitrotoluene | DTXSID70201380 | MFCD00024196...SMILES: CC1=CC(=C(C=C1)I)[N+](=O)[O-]InChIKey: DKYCDXAZCHMPSJ-UHFFFAOYSA-NInChI: InChI=1S/C7H6INO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
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4-Methoxyindole-3-carboxaldehyde
Cas Number: 90734-97-7Formula: C10H9NO2Molecular weight: 175.18Synonyms: CL3466 | FT-0651349 | 4-Methoxyindole-3-carboxaldehyde | SCHEMBL1337138 | DTXSID50238250 | 3-Formyl-...SMILES: COC1=CC=CC2=C1C(=CN2)C=OInChIKey: GDVCEQRAPMIJBG-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO2/c1-13-9-4-2-3-8-10(9)7(6-12)5-11-8/h2-6,11H,1H3
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3-Methyl-1-penten-4-yn-3-ol
Cas Number: 3230-69-1Formula: C6H8OMolecular weight: 96.13Synonyms: VBATUBQIYXCZPA-UHFFFAOYSA- | 3-METHYL-1-PENTEN-4-YNE-3-OL | 2H-Pyran-3-carboxylicacid, tetrahydro- |...SMILES: CC(C=C)(C#C)OInChIKey: VBATUBQIYXCZPA-UHFFFAOYSA-NInChI: InChI=1S/C6H8O/c1-4-6(3,7)5-2/h1,5,7H,2H2,3H3
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3-Fluoro-4-nitrophenol
Cas Number: 394-41-2Formula: C6H4FNO3Molecular weight: 157.1Synonyms: 3-Fluoro-4-nitrophenol, 99% | InChI=1/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9 | EINECS 206-895-6 ...SMILES: C1=CC(=C(C=C1O)F)[N+](=O)[O-]InChIKey: CSSGKHVRDGATJL-UHFFFAOYSA-NInChI: InChI=1S/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
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4-Hydroxy-3-methoxybenzonitrile
Cas Number: 4421-08-3Formula: C8H7NO2Molecular weight: 149.15Synonyms: 2-methoxy-4-cyanophenol | 2-methoxy-4-cyano-phenol | FT-0618641 | NSC 158285 | EN300-07946 | MFCD000...SMILES: COC1=C(C=CC(=C1)C#N)OInChIKey: QJRWLNLUIAJTAD-UHFFFAOYSA-NInChI: InChI=1S/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3
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3',4'-Dimethoxyflavone
Cas Number: 4143-62-8Formula: C17H14O4Molecular weight: 282.3Synonyms: KBioGR_002451 | PD171572 | STK899809 | 2-(3,4-dimethoxyphenyl)-4H-chromen-4-one | MFCD00143009 | KBi...SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)OCInChIKey: ZGHORMOOTZTQFL-UHFFFAOYSA-NInChI: InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3
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4-Bromo-3-methylaniline
Cas Number: 6933-10-4Formula: C7H8BrNMolecular weight: 186.05Synonyms: A19787 | F2190-0485 | Benzenamine, 4-bromo-3-methyl- | DTXSID10219383 | EINECS 230-056-3 | O11182 | ...SMILES: CC1=C(C=CC(=C1)N)BrInChIKey: MMEGELSFOYDPQW-UHFFFAOYSA-NInChI: InChI=1S/C7H8BrN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
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3',4'-Dichloroacetophenone
Formula: C8H6Cl2OMolecular weight: 189.04Synonyms: AKOS000112424 | STR00859 | PS-3397 | STK397842 | W-107172 | 2TN7FF3W4M | 3,4-Dicloroacetophenone | A...SMILES: CC(=O)C1=CC(=C(C=C1)Cl)ClInChIKey: WBPAOUHWPONFEQ-UHFFFAOYSA-NInChI: InChI=1S/C8H6Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
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4-Chloro-3-nitrobenzoyl chloride
Cas Number: 38818-50-7 EC Number: 254-133-6Formula: ClC6H3(NO2)COClMolecular weight: 220.01Synonyms: 4-Chloro-3-nitrobenzoyl chloride|38818-50-7|3-nitro-4-chlorobenzoyl chloride|Benzoyl chloride, 4-chl...SMILES: C1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])ClInChIKey: IWLGXPWQZDOMSB-UHFFFAOYSA-NInChI: InChI=1S/C7H3Cl2NO3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H
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3-(Cyclopentyloxy)-4-methoxyphenylboronic acid
Cas Number: 159613-21-5Formula: C12H17BO4Molecular weight: 236.1Synonyms: 159613-21-5|(3-(Cyclopentyloxy)-4-methoxyphenyl)boronic acid|3-(Cyclopentyloxy)-4-methoxyphenylboron...SMILES: B(C1=CC(=C(C=C1)OC)OC2CCCC2)(O)OInChIKey: PTXMXVNPZGJCAA-UHFFFAOYSA-NInChI: InChI=1S/C12H17BO4/c1-16-11-7-6-9(13(14)15)8-12(11)17-10-4-2-3-5-10/h6-8,10,14-15H,2-5H2,1H3
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3-(4-methoxyphenyl)propan-1-ol
Formula: CH3OC6H4(CH2)3OHMolecular weight: 166.22Synonyms: 3-(4-methoxyphenyl)propan-1-ol;3-(4-Methoxyphenyl)-1-propanol | 3-(4-Methoxyphenyl)-1-propanol, 99% ...SMILES: COC1=CC=C(C=C1)CCCOInChIKey: NIIDHUCLROLCBU-UHFFFAOYSA-NInChI: InChI=1S/C10H14O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,11H,2-3,8H2,1H3
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4-Trimethylsilyloxy-3-penten-2-one
Cas Number: 13257-81-3Formula: C8H16O2SiMolecular weight: 172.3Synonyms: 2-trimethylsiloxypent-2-ene-4-one | 4-(Trimethylsiloxy)-3-penten-2-one, for GC derivatization, >=97....SMILES: CC(=CC(=O)C)O[Si](C)(C)CInChIKey: FBADCSUQBLLAHW-SOFGYWHQSA-NInChI: InChI=1S/C8H16O2Si/c1-7(9)6-8(2)10-11(3,4)5/h6H,1-5H3/b8-6+
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4-(3-Chloropropyl)morpholine
Formula: C7H14ClNOMolecular weight: 163.65Synonyms: RU-3366 | UNII-82BVM8E6TN | 1-Chloro-3-morpholinopropane | A9483 | Morpholine, 4-(3-chloropropyl)- |...SMILES: C1COCCN1CCCClInChIKey: PIAZYBLGBSMNLX-UHFFFAOYSA-NInChI: InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
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4-Methyl-3-nitrobenzyl alcohol
Cas Number: 40870-59-5Formula: CH3C6H3(NO2)CH2OHMolecular weight: 167.16Synonyms: (4-Methyl-3-nitrophenyl)methanol # | DTXSID80193843 | AMY28198 | EN300-156563 | MFCD00007177 | SCHEM...SMILES: CC1=C(C=C(C=C1)CO)[N+](=O)[O-]InChIKey: URCWIFSXDARYLY-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3
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4-Bromo-3-fluorotoluene
Cas Number: 452-74-4Formula: C7H6BrFMolecular weight: 189.03Synonyms: 1-Bromo-2-fluoro-4-methylbenzene | 1-BROMO-2-FLUORO-4-METHYL-BENZENE | EN300-174934 | BCP24574 | Ben...SMILES: CC1=CC(=C(C=C1)Br)FInChIKey: SLFNGVGRINFJLK-UHFFFAOYSA-NInChI: InChI=1S/C7H6BrF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
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3-Chloro-4-hydroxyphenylacetic Acid
Cas Number: 33697-81-3Formula: C8H7ClO3Molecular weight: 186.59Synonyms: 2-(3-chloro-4-hydroxyphenyl)acetic acid | 2-(3-chloro-4-hydroxy-phenyl)acetic acid | BRN 2096929 | V...SMILES: C1=CC(=C(C=C1CC(=O)O)Cl)OInChIKey: IYTUKSIOQKTZEG-UHFFFAOYSA-NInChI: InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
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4-Chloro-3-ethylphenol
Cas Number: 14143-32-9Formula: C8H9ClOMolecular weight: 156.61Synonyms: 3-ethyl-4-chlorophenol | 4-Chloro-3-ethylphenol, 97% | EN300-21414 | MFCD00010822 | SCHEMBL365736 | ...SMILES: CCC1=C(C=CC(=C1)O)ClInChIKey: DVKVZPIRWWREJC-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClO/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H3
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