1333388-00-3 Purity
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The molecular formula of 4-Bromo-2-(trifluoromethyl)phenylboronic acid is C7H5BBrF3O2.
The synonyms for 4-Bromo-2-(trifluoromethyl)phenylboronic acid include 1394346-22-5, 4-Bromo-2-(trifluoromethyl)benzeneboronic acid, and (4-Bromo-2-(trifluoromethyl)phenyl)boronic acid.
The molecular weight of 4-Bromo-2-(trifluoromethyl)phenylboronic acid is 268.83 g/mol.
The IUPAC name of 4-Bromo-2-(trifluoromethyl)phenylboronic acid is [4-bromo-2-(trifluoromethyl)phenyl]boronic acid.
The InChI of 4-Bromo-2-(trifluoromethyl)phenylboronic acid is InChI=1S/C7H5BBrF3O2/c9-4-1-2-6(8(13)14)5(3-4)7(10,11)12/h1-3,13-14H.
The InChIKey of 4-Bromo-2-(trifluoromethyl)phenylboronic acid is CSIDLWXFPCSSOK-UHFFFAOYSA-N.
The canonical SMILES of 4-Bromo-2-(trifluoromethyl)phenylboronic acid is B(C1=C(C=C(C=C1)Br)C(F)(F)F)(O)O.
The hydrogen bond donor count for 4-Bromo-2-(trifluoromethyl)phenylboronic acid is 2.
The hydrogen bond acceptor count for 4-Bromo-2-(trifluoromethyl)phenylboronic acid is 5.
The rotatable bond count for 4-Bromo-2-(trifluoromethyl)phenylboronic acid is 1.