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SMILES: c1(ccnc(c1)CO)Br Canonical SMILES: OCc1cc(Br)ccn1 InChI: InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2 InChIKey: MHVUUSQGWMQSMH-UHFFFAOYSA-N
CBID:63531 http://www.chembase.cn/molecule-63531.html