CAS
850623-59-5 Purity
96%
850623-59-5 Purity
96%
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Specification
The molecular formula is C7H7BF3KO2S.
The molecular weight is 262.10 g/mol.
The IUPAC name is potassium;trifluoro-(2-methylsulfonylphenyl)boranuide.
The InChI is InChI=1S/C7H7BF3O2S.K/c1-14(12,13)7-5-3-2-4-6(7)8(9,10)11;/h2-5H,1H3;/q-1;+1
The InChIKey is XWXDHUNDHNZMGT-UHFFFAOYSA-N.
The canonical SMILES is [B-](C1=CC=CC=C1S(=O)(=O)C)(F)(F)F.[K+].
The CAS number is 850623-65-3.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 6.
Yes, it is a canonicalized compound.