basic_info |
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Product_Name: | 2-(AZEPAN-1-YL)-4-CHLOROBENZOIC ACID |
EnglishSynonyms: | 2-(AZEPAN-1-YL)-4-CHLOROBENZOIC ACID |
pro_mdlNumber: | MFCD17428761 |
pro_acceptors: | 3 |
pro_donors: | 1 |
pro_smile: | c1cc(c(cc1Cl)N2CCCCCC2)C(=O)O |
InChi: | InChI=1S/C13H16ClNO2/c14-10-5-6-11(13(16)17)12(9-10)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,16,17) |
InChiKey: | InChIKey=ZZPQCUKWEKYDGC-UHFFFAOYSA-N |
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