CAS
850623-36-8 Purity
>95.0%(N)
850623-36-8 Purity
>95.0%(N)
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Specification
The molecular formula is C6H3BClF4K.
The molecular weight is 236.44 g/mol.
The IUPAC name is potassium;(3-chloro-4-fluorophenyl)-trifluoroboranuide.
The InChI is InChI=1S/C6H3BClF4.K/c8-5-3-4(7(10,11)12)1-2-6(5)9;/h1-3H;/q-1;+1.
The InChIKey is YIBSBTTVMHWMNU-UHFFFAOYSA-N.
The canonical SMILES is [B-](C1=CC(=C(C=C1)F)Cl)(F)(F)F.[K+].
The CAS number is 850623-59-5.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 5.
Yes, it is a canonicalized compound.