4-(3'-Fluorobenzyloxy)phenylboronic acid
Product Information
Molecular Formula
C13H12BFO3
Molecular Weight
246.0
Description
4-(3'-Fluorobenzyloxy)phenylboronic acid is a crucial compound in biomedicine used in the development of novel drugs and therapies. This product plays a vital role in the treatment of certain diseases, serving as a crucial building block for the synthesis of pharmaceutical agents targeting specific receptors or pathways.
Synonyms
[4-[(3-fluorophenyl)methoxy]phenyl]boronicacid; 4-(3'-Fluorobenzyloxy)phenylboronicacid; 1072951-98-4; (4-((3-Fluorobenzyl)oxy)phenyl)boronicacid; 4-(3-Fluorobenzyloxy)phenylboronicacid; 661864_ALDRICH
IUPAC Name
[4-[(3-fluorophenyl)methoxy]phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)OCC2=CC(=CC=C2)F)(O)O
InChI
InChI=1S/C13H12BFO3/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8,16-17H,9H2
InChI Key
HLPBNLKHBWJWNP-UHFFFAOYSA-N
Melting Point
159-164 °C
Purity
98%
Appearance
White to tan solid
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
244
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
