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SMILES: [nH]1nc(nc1)c1ccc(cc1)Br Canonical SMILES: Brc1ccc(cc1)c1n[nH]cn1 InChI: InChI=1S/C8H6BrN3/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,(H,10,11,12) InChIKey: XJSPWQRTWATLKK-UHFFFAOYSA-N
CBID:68476 http://www.chembase.cn/molecule-68476.html