basic_info |
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| Product_Name: | 2-[(3-BROMOPHENYL)METHYL]HEXANOIC ACID |
| CAS: | 857814-35-8 |
| EnglishSynonyms: | 3-BROMO-ALPHA-BUTYL-BENZENEPROPANOIC ACID ; 2-[(3-BROMOPHENYL)METHYL]HEXANOIC ACID ; BENZENEPROPANOIC ACID, 3-BROMO-ALPHA-BUTYL- |
| pro_mdlNumber: | MFCD12152856 |
| pro_acceptors: | 2 |
| pro_donors: | 1 |
| pro_smile: | CCCCC(Cc1cccc(c1)Br)C(=O)O |
| InChi: | InChI=1S/C13H17BrO2/c1-2-3-6-11(13(15)16)8-10-5-4-7-12(14)9-10/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,15,16) |
| InChiKey: | InChIKey=AGGIUPSEBXNYMV-UHFFFAOYSA-N |
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