850623-70-0 Purity
96%
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Specification
The molecular formula is C7H5BF3KO.
The synonyms are Potassium 3-formylphenyltrifluoroborate, 871231-44-6, potassium;trifluoro-(3-formylphenyl)boranuide, and Potassium trifluoro(3-formylphenyl)borate.
The molecular weight is 212.02 g/mol.
The IUPAC name is potassium;trifluoro-(3-formylphenyl)boranuide.
The InChI is InChI=1S/C7H5BF3O.K/c9-8(10,11)7-3-1-2-6(4-7)5-12;/h1-5H;/q-1;+1.
The InChIKey is ZUJWOVZZESBYHA-UHFFFAOYSA-N.
The canonical SMILES is [B-](C1=CC(=CC=C1)C=O)(F)(F)F.[K+].
The CAS number is 871231-44-6.
The hydrogen bond donor count is 0.
Yes, Potassium 3-formylphenyltrifluoroborate is canonicalized.