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The molecular formula is C7H6BF3O2S.
The IUPAC name is [3-(trifluoromethylsulfanyl)phenyl]boronic acid.
The InChI is InChI=1S/C7H6BF3O2S/c9-7(10,11)14-6-3-1-2-5(4-6)8(12)13/h1-4,12-13H.
The InChIKey is IBWJIDZQUVCSRA-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=CC=C1)SC(F)(F)F)(O)O.
The molecular weight is 222.00 g/mol.
The compound has 2 hydrogen bond donor counts.
The compound has 6 hydrogen bond acceptor counts.
The compound has 2 rotatable bond counts.
Yes, the compound is canonicalized.
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