3-(3-Chlorobenzyloxy)phenylboronic acid

Inquiry

Molecular Formula:

C13H12BClO3

Molecular Weight:

262.50

CAS Number:

849062-33-5

Catalog Number:

849062-33-5

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

262.0568021 g/mol

Monoisotopic Mass

262.0568021 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

252

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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3-(3-Chlorobenzyloxy)phenylboronic acid

Product Information

Safety Information

Computed Properties

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