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SMILES: c1(cnc(cc1)C(=O)O)Br Canonical SMILES: Brc1ccc(nc1)C(=O)O InChI: InChI=1S/C6H4BrNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10) InChIKey: MNNQIBXLAHVDDL-UHFFFAOYSA-N
CBID:14980 http://www.chembase.cn/molecule-14980.html