1253577-76-2 Purity
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The molecular formula of 3-Formyl-5-(trifluoromethyl)phenylboronic acid is C8H6BF3O3.
The synonyms for 3-Formyl-5-(trifluoromethyl)phenylboronic acid are 3-FORMYL-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, 1451393-24-0, and (3-Formyl-5-(trifluoromethyl)phenyl)boronic acid.
The molecular weight of 3-Formyl-5-(trifluoromethyl)phenylboronic acid is 217.94 g/mol.
The IUPAC name of 3-Formyl-5-(trifluoromethyl)phenylboronic acid is [3-formyl-5-(trifluoromethyl)phenyl]boronic acid.
The InChI of 3-Formyl-5-(trifluoromethyl)phenylboronic acid is InChI=1S/C8H6BF3O3/c10-8(11,12)6-1-5(4-13)2-7(3-6)9(14)15/h1-4,14-15H.
The InChIKey of 3-Formyl-5-(trifluoromethyl)phenylboronic acid is PUGXLUVQWNOCAW-UHFFFAOYSA-N.
The canonical SMILES of 3-Formyl-5-(trifluoromethyl)phenylboronic acid is B(C1=CC(=CC(=C1)C(F)(F)F)C=O)(O)O.
The hydrogen bond donor count of 3-Formyl-5-(trifluoromethyl)phenylboronic acid is 2.
The hydrogen bond acceptor count of 3-Formyl-5-(trifluoromethyl)phenylboronic acid is 6.
The topological polar surface area of 3-Formyl-5-(trifluoromethyl)phenylboronic acid is 57.5Ų.