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SMILES: C(O)c1c(cncc1)Br Canonical SMILES: OCc1ccncc1Br InChI: InChI=1S/C6H6BrNO/c7-6-3-8-2-1-5(6)4-9/h1-3,9H,4H2 InChIKey: LQBUZBOVEZBDEB-UHFFFAOYSA-N
CBID:58862 http://www.chembase.cn/molecule-58862.html