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SMILES: n1cc(c(cc1)C(F)(F)F)B(O)O.O Canonical SMILES: OB(c1cnccc1C(F)(F)F)O.O InChI: InChI=1S/C6H5BF3NO2.H2O/c8-6(9,10)4-1-2-11-3-5(4)7(12)13;/h1-3,12-13H;1H2 InChIKey: CKGIYHYJVBVRFH-UHFFFAOYSA-N
CBID:99425 http://www.chembase.cn/molecule-99425.html