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The molecular formula is C8H8BF3O4.
The molecular weight is 235.95 g/mol.
The IUPAC name is [3-(hydroxymethyl)-4-(trifluoromethoxy)phenyl]boronic acid.
The InChI code is InChI=1S/C8H8BF3O4/c10-8(11,12)16-7-2-1-6(9(14)15)3-5(7)4-13/h1-3,13-15H,4H2.
The InChIKey is HPVFPMGLKKFBIQ-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1)OC(F)(F)F)CO)(O)O.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 7.
There are 3 rotatable bonds present.
Yes, it is a canonicalized compound.
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