CAS
269409-73-6 Purity
98%
269409-73-6 Purity
98%
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The molecular formula is C9H8BF3O4.
The molecular weight is 247.97 g/mol.
The IUPAC name is [4-methoxycarbonyl-3-(trifluoromethyl)phenyl]boronic acid.
The InChI key is NPQVSVOCCSWALW-UHFFFAOYSA-N.
It has 2 hydrogen bond donor counts.
It has 7 hydrogen bond acceptor counts.
The exact mass is 248.0467734 g/mol.
It has 3 rotatable bond counts.
The topological polar surface area is 66.8Ų.
Yes, the compound is canonicalized.