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SMILES: n1cc(c(cc1)CCl)Br Canonical SMILES: ClCc1ccncc1Br InChI: InChI=1S/C6H5BrClN/c7-6-4-9-2-1-5(6)3-8/h1-2,4H,3H2 InChIKey: VXINHFGHWYFFSP-UHFFFAOYSA-N
CBID:814991 http://www.chembase.cn/molecule-814991.html