2-Bromo-6-fluorophenylboronic Acid
Product Information
Molecular Formula
C6H5BrFO2B
Molecular Weight
218.82
Description
2-Bromo-6-fluorophenylboronic Acid (CAS# 913835-80-0) is a useful research chemical.
Synonyms
(2-bromo-6-fluorophenyl)boronic acid; (2-bromo-6-fluorophenyl)boronic acid
IUPAC Name
(2-bromo-6-fluorophenyl)boronic acid
SMILES
B(C1=C(C=CC=C1Br)F)(O)O
InChI
InChI=1S/C6H5BBrFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChI Key
MVSHYHSMIRBRGU-UHFFFAOYSA-N
Boiling Point
324.4 °C at 760 mmHg
Melting Point
138-143 °C (lit.)
Density
1.75 g/cm3
LogP
0.26800
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
217.95500 g/mol
Monoisotopic Mass
217.95500 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136
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