CAS
957120-79-5 Purity
98%
957120-79-5 Purity
98%
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The molecular formula is C7H4BBrClF3O2.
It was created on January 26, 2010.
The IUPAC name is [3-bromo-2-chloro-5-(trifluoromethyl)phenyl]boronic acid.
The InChI is InChI=1S/C7H4BBrClF3O2/c9-5-2-3(7(11,12)13)1-4(6(5)10)8(14)15/h1-2,14-15H.
The InChIKey is DBIZIJSYGAIRIZ-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=CC(=C1Cl)Br)C(F)(F)F)(O)O.
The CAS number is 957120-85-3.
The molecular weight is 303.27 g/mol.
It has 2 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.