2-Fluoro-3-iodophenylboronic Acid
Product Information
Molecular Formula
C6H5FIO2B
Molecular Weight
265.82
Description
2-Fluoro-3-iodophenylboronic Acid (CAS# 1016231-39-2) is a useful research chemical.
Synonyms
(2-fluoro-3-iodophenyl)boronic acid; (2-fluoro-3-iodophenyl)boronic acid
IUPAC Name
(2-fluoro-3-iodophenyl)boronic acid
SMILES
B(C1=C(C(=CC=C1)I)F)(O)O
InChI
InChI=1S/C6H5BFIO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,10-11H
InChI Key
NNMDGAIATJXYFJ-UHFFFAOYSA-N
Melting Point
238-243 °C (lit.)
Storage
Keep in dark place, Inert atmosphere, 2-8 °C
LogP
0.11010
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
265.94114 g/mol
Monoisotopic Mass
265.94114 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
