basic_info |
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Product_Name: | 4-(2-BROMOACETYL)-3-CYANOBENZOIC ACID |
EnglishSynonyms: | 4-(2-BROMOACETYL)-3-CYANOBENZOIC ACID |
pro_mdlNumber: | MFCD22491165 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | c1cc(c(cc1C(=O)O)C#N)C(=O)CBr |
InChi: | InChI=1S/C10H6BrNO3/c11-4-9(13)8-2-1-6(10(14)15)3-7(8)5-12/h1-3H,4H2,(H,14,15) |
InChiKey: | InChIKey=HEISHYFWVCTFCO-UHFFFAOYSA-N |
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