Potassium 3-formylphenyltrifluoroborate
Product Information
Molecular Formula
C7H5BF3KO
Molecular Weight
212.02
Description
Potassium 3-formylphenyltrifluoroborate (CAS# 871231-44-6) is a useful research chemical.
Synonyms
potassium;trifluoro-(3-formylphenyl)boranuide
IUPAC Name
potassium;trifluoro-(3-formylphenyl)boranuide
SMILES
[B-](C1=CC(=CC=C1)C=O)(F)(F)F.[K+]
InChI
InChI=1S/C7H5BF3O.K/c9-8(10,11)7-3-1-2-6(4-7)5-12;/h1-5H;/q-1;+1
InChI Key
ZUJWOVZZESBYHA-UHFFFAOYSA-N
Melting Point
>300 °C
Purity
95 %
LogP
1.55350
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
212.0022609 g/mol
Monoisotopic Mass
212.0022609 g/mol
Topological Polar Surface Area
17.1Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
174
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
