2-(2-Chlorobenzyloxy)phenylboronic acid
Product Information
Molecular Formula
C13H12BClO3
Molecular Weight
262.50
Description
2-(2-Chlorobenzyloxy)phenylboronic acid is a specialized reagent in biomedical research, often used in the synthesis of cancer therapeutic drugs. Its primary role lies in the creation of controlled substance inhibitors aimed at treating conditions like leukemia and lymphoma.
Synonyms
(2-((2-Chlorobenzyl)oxy)phenyl)boronic acid; [2-[(2-chlorophenyl)methoxy]phenyl]boronic acid; {2-[(2-Chlorophenyl)methoxy]phenyl}boronic acid; {2-[(2-chlorobenzyl)oxy]phenyl}boronic acid; 2-(2-Chlorobenzyloxy)phenylboronicacid; (2-((2-Chlorobenzyl)oxy)phenyl)boronicacid; 2-(2(2)-Chlorobenzyloxy)phenylboronic acid
IUPAC Name
[2-[(2-chlorophenyl)methoxy]phenyl]boronic acid
SMILES
B(C1=CC=CC=C1OCC2=CC=CC=C2Cl)(O)O
InChI
InChI=1S/C13H12BClO3/c15-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(16)17/h1-8,16-17H,9H2
InChI Key
OOORTTOHYXWCDV-UHFFFAOYSA-N
Melting Point
124-129 °C (lit.)
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
262.0568021 g/mol
Monoisotopic Mass
262.0568021 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
