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SMILES: c1(ccc(cn1)Br)CC(=O)O Canonical SMILES: OC(=O)Cc1ccc(cn1)Br InChI: InChI=1S/C7H6BrNO2/c8-5-1-2-6(9-4-5)3-7(10)11/h1-2,4H,3H2,(H,10,11) InChIKey: ATKULCGQSLCGEK-UHFFFAOYSA-N
CBID:39571 http://www.chembase.cn/molecule-39571.html