basic_info |
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Product_Name: | 2-(3-BROMO-5-METHYLPHENYL)-6-METHYL-1,3,6,2-DIOXAZABOROCANE-4,8-DIONE |
EnglishSynonyms: | 2-(3-BROMO-5-METHYLPHENYL)-6-METHYL-1,3,6,2-DIOXAZABOROCANE-4,8-DIONE |
pro_mdlNumber: | MFCD16660050 |
pro_acceptors: | 5 |
pro_donors: | 0 |
pro_smile: | B1(OC(=O)CN(CC(=O)O1)C)c2cc(cc(c2)Br)C |
InChi: | InChI=1S/C12H13BBrNO4/c1-8-3-9(5-10(14)4-8)13-18-11(16)6-15(2)7-12(17)19-13/h3-5H,6-7H2,1-2H3 |
InChiKey: | InChIKey=IEPUQKLNLPIVDN-UHFFFAOYSA-N |
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