3-(3-Chlorobenzyloxy)phenylboronic acid

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Product Information

Molecular Formula:
C13H12BClO3
Molecular Weight:
262.50
Description
3-(3-Chlorobenzyloxy)phenylboronic acid is an important small molecule compound in the biomedical field with a series of effective pharmaceutical properties. Its uses span the development of drugs to treat a wide range of diseases, including cancer, inflammation and autoimmune diseases.
Synonyms
[3-[(3-chlorophenyl)methoxy]phenyl]boronic acid; {3-[(3-Chlorophenyl)methoxy]phenyl}boronic acid; (3-((3-Chlorobenzyl)oxy)phenyl)boronicacid; 3-(3(2)-Chlorobenzyloxy)phenylboronic acid
IUPAC Name
[3-[(3-chlorophenyl)methoxy]phenyl]boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)OCC2=CC(=CC=C2)Cl)(O)O
InChI
InChI=1S/C13H12BClO3/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
ZSNYOIJMFZLJES-UHFFFAOYSA-N

Safety Information

Hazards
H315-H319-H335-H413
Precautionary Statement
P261-P305 + P351 + P338

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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Calculate

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