900175-07-7 Purity
---
If you have any other questions or need other size, please get a quote.
The molecular formula is C7H5BBrF3O2.
The synonyms are 913835-64-0, (3-Bromo-5-(trifluoromethyl)phenyl)boronic acid, [3-bromo-5-(trifluoromethyl)phenyl]boronic acid, and 3-Bromo-5-(trifluoromethyl)benzeneboronic acid.
The molecular weight is 268.83 g/mol.
The IUPAC name is [3-bromo-5-(trifluoromethyl)phenyl]boronic acid.
The InChI is InChI=1S/C7H5BBrF3O2/c9-6-2-4(7(10,11)12)1-5(3-6)8(13)14/h1-3,13-14H.
The InChIKey is VBYUDGIATDPECY-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=CC(=C1)Br)C(F)(F)F)(O)O.
The CAS number is 913835-64-0.
Yes, the compound is canonicalized.