CAS
208641-98-9 Purity
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208641-98-9 Purity
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The molecular formula is C8H6BF3O3.
The molecular weight is 217.94 g/mol.
The IUPAC name is [2-formyl-6-(trifluoromethyl)phenyl]boronic acid.
The InChI is InChI=1S/C8H6BF3O3/c10-8(11,12)6-3-1-2-5(4-13)7(6)9(14)15/h1-4,14-15H.
The InChIKey is VYQNGLZQQFGULH-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC=C1C(F)(F)F)C=O)(O)O.
The CAS number is 1451392-93-0.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 6.
Yes, it is a canonicalized compound according to PubChem.