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SMILES: B1(OC(C(O1)(C)C)(C)C)c1cc(c(nc1)Br)C Canonical SMILES: Brc1ncc(cc1C)B1OC(C(O1)(C)C)(C)C InChI: InChI=1S/C12H17BBrNO2/c1-8-6-9(7-15-10(8)14)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3 InChIKey: QDYURULIZKUCKL-UHFFFAOYSA-N
CBID:71277 http://www.chembase.cn/molecule-71277.html