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SMILES: c1c(ccc(c1)Br)CCCC Canonical SMILES: CCCCc1ccc(cc1)Br InChI: InChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3 InChIKey: BRGVKVZXDWGJBX-UHFFFAOYSA-N
CBID:6800 http://www.chembase.cn/molecule-6800.html