166744-78-1 Purity
98%
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The molecular formula of the compound is C8H6BF3O4.
The IUPAC name of the compound is [2-formyl-3-(trifluoromethoxy)phenyl]boronic acid.
The InChI of the compound is InChI=1S/C8H6BF3O4/c10-8(11,12)16-7-3-1-2-6(9(14)15)5(7)4-13/h1-4,14-15H.
The InChIKey of the compound is RLDVJTZCOBBLQW-UHFFFAOYSA-N.
The CAS number of the compound is 1451392-92-9.
The molecular weight of the compound is 233.94 g/mol.
The compound has 2 hydrogen bond donor counts.
The compound has 7 hydrogen bond acceptor counts.
The topological polar surface area of the compound is 66.8Ų.
Yes, the compound is canonicalized.
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