CAS
352535-97-8 Purity
98%
352535-97-8 Purity
98%
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The molecular formula is C8H5BF4O3.
The PubChem CID is 57497272.
The IUPAC name is [2-fluoro-3-formyl-4-(trifluoromethyl)phenyl]boronic acid.
The InChI is InChI=1S/C8H5BF4O3/c10-7-4(3-14)5(8(11,12)13)1-2-6(7)9(15)16/h1-3,15-16H.
The InChIKey is XAJUAAWSBUIORP-UHFFFAOYSA-N.
The molecular weight is 235.93 g/mol.
There are 2 hydrogen bond donor atoms.
There are 7 hydrogen bond acceptor atoms.
There are 2 rotatable bonds.
Yes, it is a canonicalized compound.