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SMILES: N#Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Br)c1 Canonical SMILES: N#Cc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C InChI: InChI=1S/C13H15BBrNO2/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7H,1-4H3 InChIKey: RXYJIHWLAKWJTK-UHFFFAOYSA-N
CBID:290736 http://www.chembase.cn/molecule-290736.html