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SMILES: c1c(cc(cn1)Br)CO Canonical SMILES: OCc1cc(Br)cnc1 InChI: InChI=1S/C6H6BrNO/c7-6-1-5(4-9)2-8-3-6/h1-3,9H,4H2 InChIKey: WDVDHJLKXYCOFS-UHFFFAOYSA-N
CBID:68036 http://www.chembase.cn/molecule-68036.html