3-Fluorophenylboronic Acid
Product Information
Molecular Formula
C6H6FO2B
Molecular Weight
139.92
Description
Recently used to make novel liquid crystalline fluorobiphenylcyclohexenes and difluoroterphenyls by palladium-catalyzed cross-couplings also used in the synthesis of o-phenylphenols as potent leukotriene B4 receptor agonists.
Synonyms
(3-fluorophenyl)boronic acid; (3-fluorophenyl)boronic acid
IUPAC Name
(3-fluorophenyl)boronic acid
SMILES
B(C1=CC(=CC=C1)F)(O)O
InChI
InChI=1S/C6H6BFO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChI Key
KNXQDJCZSVHEIW-UHFFFAOYSA-N
Boiling Point
271.4 °C at 760 mmHg
Melting Point
214-218 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
1.24 g/cm3
LogP
-0.49450
Safety Information
Precautionary Statement
P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P391, P405, and P501
Signal Word
Danger
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
140.0444878 g/mol
Monoisotopic Mass
140.0444878 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
110
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
1
Compound Is Canonicalized
Yes
