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SMILES: c1(=O)cc(ccn1C)Br Canonical SMILES: Brc1ccn(c(=O)c1)C InChI: InChI=1S/C6H6BrNO/c1-8-3-2-5(7)4-6(8)9/h2-4H,1H3 InChIKey: YFOQSLIPUHGGQE-UHFFFAOYSA-N
CBID:68661 http://www.chembase.cn/molecule-68661.html