basic_info |
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| Product_Name: | [[1-(2-CHLOROBENZYL)-4-FORMYL-3-METHYL-1H-PYRAZOL-5-YL]THIO]ACETIC ACID |
| CAS: | 956568-51-7 |
| EnglishSynonyms: | [[1-(2-CHLOROBENZYL)-4-FORMYL-3-METHYL-1H-PYRAZOL-5-YL]THIO]ACETIC ACID ; 2-((1-[(2-CHLOROPHENYL)METHYL]-4-FORMYL-3-METHYL-1H-PYRAZOL-5-YL)SULFANYL)ACETIC ACID ; ((2-[(2-CHLOROPHENYL)METHYL]-4-FORMYL-5-METHYLPYRAZOL-3-YL)SULFANYL)ACETIC ACID |
| pro_mdlNumber: | MFCD08444389 |
| pro_acceptors: | 5 |
| pro_donors: | 1 |
| pro_smile: | Cc1c(c(n(n1)Cc2ccccc2Cl)SCC(=O)O)C=O |
| InChi: | InChI=1S/C14H13ClN2O3S/c1-9-11(7-18)14(21-8-13(19)20)17(16-9)6-10-4-2-3-5-12(10)15/h2-5,7H,6,8H2,1H3,(H,19,20) |
| InChiKey: | InChIKey=AZFBXTZFBLIYCH-UHFFFAOYSA-N |
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