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SMILES: n1n(cc(c1)Br)CC Canonical SMILES: CCn1cc(cn1)Br InChI: InChI=1S/C5H7BrN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3 InChIKey: IPMSARLBJARXSC-UHFFFAOYSA-N
CBID:31997 http://www.chembase.cn/molecule-31997.html