2-(2-Chlorobenzyloxy)phenylboronic acid

Inquiry

Molecular Formula:

C13H12BClO3

Molecular Weight:

262.50

CAS Number:

870777-21-2

Catalog Number:

870777-21-2

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

Canonical 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

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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Concentration _(final)

Volume _(final)

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2-(2-Chlorobenzyloxy)phenylboronic acid

Product Information

Computed Properties

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