1451390-87-6 Purity
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The molecular formula of 2-Bromo-3-trifluoromethylphenylboronic acid is C7H5BBrF3O2.
The IUPAC name of 2-Bromo-3-trifluoromethylphenylboronic acid is [2-bromo-3-(trifluoromethyl)phenyl]boronic acid.
The InChI of 2-Bromo-3-trifluoromethylphenylboronic acid is InChI=1S/C7H5BBrF3O2/c9-6-4(7(10,11)12)2-1-3-5(6)8(13)14/h1-3,13-14H.
The InChIKey of 2-Bromo-3-trifluoromethylphenylboronic acid is DGEDEAVZOHLRDU-UHFFFAOYSA-N.
The canonical SMILES of 2-Bromo-3-trifluoromethylphenylboronic acid is B(C1=C(C(=CC=C1)C(F)(F)F)Br)(O)O.
The CAS number of 2-Bromo-3-trifluoromethylphenylboronic acid is 1451393-48-8.
The molecular weight of 2-Bromo-3-trifluoromethylphenylboronic acid is 268.83 g/mol.
2-Bromo-3-trifluoromethylphenylboronic acid has 2 hydrogen bond donor counts.
2-Bromo-3-trifluoromethylphenylboronic acid has 5 hydrogen bond acceptor counts.
2-Bromo-3-trifluoromethylphenylboronic acid has 1 rotatable bond count.