850623-62-0 Purity
96%
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Specification
The molecular formula is C7H6BF3KNO.
The molecular weight is 227.04 g/mol.
The IUPAC name is potassium;(2-carbamoylphenyl)-trifluoroboranuide.
The InChI is InChI=1S/C7H6BF3NO.K/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;/h1-4H,(H2,12,13);/q-1;+1.
The InChIKey is LMAQXOAAOPKOAK-UHFFFAOYSA-N.
The canonical SMILES is [B-](C1=CC=CC=C1C(=O)N)(F)(F)F.[K+].
The CAS number is 850623-70-0.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 5.
Yes, Potassium (2-aminocarbonylphenyl)trifluoroborate is canonicalized.