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SMILES: n1c(cccc1CO)Br Canonical SMILES: OCc1cccc(n1)Br InChI: InChI=1S/C6H6BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2 InChIKey: XDDGKNRSCDEWBR-UHFFFAOYSA-N
CBID:87898 http://www.chembase.cn/molecule-87898.html