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SMILES: OC(=O)c1cc(ncc1O)Br Canonical SMILES: Brc1ncc(c(c1)C(=O)O)O InChI: InChI=1S/C6H4BrNO3/c7-5-1-3(6(10)11)4(9)2-8-5/h1-2,9H,(H,10,11) InChIKey: RTZRAFVOLCCLIX-UHFFFAOYSA-N
CBID:814074 http://www.chembase.cn/molecule-814074.html