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The IUPAC name of the compound is [2-(trifluoromethylsulfanyl)phenyl]boronic acid.
The InChI of the compound is InChI=1S/C7H6BF3O2S/c9-7(10,11)14-6-4-2-1-3-5(6)8(12)13/h1-4,12-13H.
The InChIKey of the compound is KSFRBBDVEFOBBU-UHFFFAOYSA-N.
The canonical SMILES of the compound is B(C1=CC=CC=C1SC(F)(F)F)(O)O.
The molecular weight of the compound is 222.00 g/mol.
The compound has 2 hydrogen bond donor count.
The compound has 6 hydrogen bond acceptor count.
The compound has 2 rotatable bond count.
The topological polar surface area of the compound is 65.8 ?^2.
The compound has 14 heavy atoms.
947532-58-3
947533-11-1
947533-13-3
947533-19-9
947533-27-9
947533-31-5
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