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SMILES: c1(ncccc1Br)CO Canonical SMILES: OCc1ncccc1Br InChI: InChI=1S/C6H6BrNO/c7-5-2-1-3-8-6(5)4-9/h1-3,9H,4H2 InChIKey: FTTLCYCJDYIEFO-UHFFFAOYSA-N
CBID:51729 http://www.chembase.cn/molecule-51729.html