352535-86-5 Purity
95%
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The molecular formula is C8H6BF3O4.
The synonyms are 4-Borono-2-(trifluoromethyl)benzoic acid, 1050424-03-7, 4-Carboxy-3-(trifluoromethyl)phenylboronic acid, MFCD11856032, 4-CARBOXY-3-TRIFLUOROMETHYLPHENYLBORONIC ACID.
The molecular weight is 233.94 g/mol.
It was created on June 21, 2011.
The IUPAC name is 4-borono-2-(trifluoromethyl)benzoic acid.
The InChI is InChI=1S/C8H6BF3O4/c10-8(11,12)6-3-4(9(15)16)1-2-5(6)7(13)14/h1-3,15-16H,(H,13,14).
The InChIKey is WYTZBGVJUBFOBU-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1)C(=O)O)C(F)(F)F)(O)O.
The CAS number is 1050424-03-7.
Reference: [1]European Journal of Organic Chemistry,2008,p. 3171 - 3178