3-Bromo-2-(2-fluorobenzyloxy)phenylboronic acid
Product Information
Molecular Formula
C13H11BBrFO3
Molecular Weight
324.94
Description
3-Bromo-2-(2-fluorobenzyloxy)phenylboronic acid is a highly coveted compound within the biomedical realm and finds extensive application in drug discovery and development. Ubiquitously employed to craft pharmaceutical agents efficaciously combating a multitude of ailments, this entity specifically imparts its prowess in synthesizing and researching targeted therapeutics that modulate discrete enzymatic activities and receptor interactions. Such distinctive molecular attributes render it indispensable in formulating therapeutic interventions of paramount efficacy.
Synonyms
3-Bromo-2-(2'-fluorobenzyloxy)phenylboronic acid; [3-bromo-2-[(2-fluorophenyl)methoxy]phenyl]boronic acid; {3-Bromo-2-[(2-fluorophenyl)methoxy]phenyl}boronic acid; 3-Bromo-2-(2'-fluorobenzyloxy)phenylbor&; (3-Bromo-2-((2-fluorobenzyl)oxy)phenyl)boronicacid
IUPAC Name
[3-bromo-2-[(2-fluorophenyl)methoxy]phenyl]boronic acid
SMILES
B(C1=C(C(=CC=C1)Br)OCC2=CC=CC=C2F)(O)O
InChI
InChI=1S/C13H11BBrFO3/c15-11-6-3-5-10(14(17)18)13(11)19-8-9-4-1-2-7-12(9)16/h1-7,17-18H,8H2
InChI Key
XTBIXNSHJQLMFR-UHFFFAOYSA-N
Melting Point
116-120 °C (lit.)
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
323.99687 g/mol
Monoisotopic Mass
323.99687 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
283
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
