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SMILES: c1(c(cc(c(n1)N)I)Br)C Canonical SMILES: Brc1cc(I)c(nc1C)N InChI: InChI=1S/C6H6BrIN2/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3,(H2,9,10) InChIKey: PEDOOHCESFJXBX-UHFFFAOYSA-N
CBID:50508 http://www.chembase.cn/molecule-50508.html