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SMILES: c1(c(cc(cn1)O)C)Br Canonical SMILES: Oc1cnc(c(c1)C)Br InChI: InChI=1S/C6H6BrNO/c1-4-2-5(9)3-8-6(4)7/h2-3,9H,1H3 InChIKey: KCCYUVIIKCPVDH-UHFFFAOYSA-N
CBID:70945 http://www.chembase.cn/molecule-70945.html