3-(3'-Fluorobenzyloxy)phenylboronic acid
Product Information
Molecular Formula
C13H12BFO3
Molecular Weight
246.0
Description
3-(3'-fluorobenzyloxy)phenylboronic acid is an intercalating agent with selective enzymatic inhibition in disease pathways. Serving as a potent boronic acid derivative, it selectively hampers the activity of highly specific enzymes intricately woven within disease pathways. This exquisitely targeted inhibition orchestrates meticulous control over disease progression and alleviates symptoms.
Synonyms
[3-[(3-fluorophenyl)methoxy]phenyl]boronicacid; 3-(3'-Fluorobenzyloxy)phenylboronicacid; 1072951-62-2; (3-((3-Fluorobenzyl)oxy)phenyl)boronicacid; 3-(3-Fluorobenzyloxy)phenylboronicacid; 661872_ALDRICH
IUPAC Name
[3-[(3-fluorophenyl)methoxy]phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)OCC2=CC(=CC=C2)F)(O)O
InChI
InChI=1S/C13H12BFO3/c15-12-5-1-3-10(7-12)9-18-13-6-2-4-11(8-13)14(16)17/h1-8,16-17H,9H2
InChI Key
OGVHSTHPCKWLSC-UHFFFAOYSA-N
Melting Point
109-113 °C
Purity
95%
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
246.0863526 g/mol
Monoisotopic Mass
246.0863526 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
252
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
