1376269-84-9 Purity
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Specification
The molecular formula is C7H5BClF3O2.
The molecular weight is 224.37 g/mol.
The IUPAC name is [2-chloro-4-(trifluoromethyl)phenyl]boronic acid.
The InChI is InChI=1S/C7H5BClF3O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H.
Yes, some synonyms for 2-Chloro-4-trifluoromethylphenylboronic acid are 2-Chloro-4-(trifluoromethyl)phenylboronic acid and 2-Chloro-4-(trifluoromethyl)benzeneboronic acid.
The CAS number is 254993-59-4.
The European Community (EC) number is 672-943-1.
The computed properties include the molecular weight, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and whether the compound is canonicalized.
The hydrogen bond donor count is 2.
Yes, 2-Chloro-4-trifluoromethylphenylboronic acid is a canonicalized compound.