850349-20-1 Purity
96%
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Specification
The molecular formula is C7H7BF3KS.
The synonyms are Potassium trifluoro(2-(methylthio)phenyl)borate, Potassium(2-Methylsulfonylphenyl)trifluoroboroate, Potassium (2-methylthiophenyl)trifluoroborate, potassium;trifluoro-(2-methylsulfanylphenyl)boranuide.
The molecular weight is 230.10 g/mol.
The IUPAC name is potassium;trifluoro-(2-methylsulfanylphenyl)boranuide.
The InChI is InChI=1S/C7H7BF3S.K/c1-12-7-5-3-2-4-6(7)8(9,10)11;/h2-5H,1H3;/q-1;+1.
The InChIKey is ACOYJOWMHXJLJP-UHFFFAOYSA-N.
The canonical SMILES is [B-](C1=CC=CC=C1SC)(F)(F)F.[K+].
The CAS number is 850623-77-7.
The hydrogen bond donor count is 0.
Yes, Potassium(2-Methylsulfonylphenyl)trifluoroboroate is canonicalized.