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SMILES: c1(ccc(cn1)CO)Br Canonical SMILES: OCc1ccc(nc1)Br InChI: InChI=1S/C6H6BrNO/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2 InChIKey: QPPDKOIDAYZUHN-UHFFFAOYSA-N
CBID:180006 http://www.chembase.cn/molecule-180006.html