2-Chlorophenylboronic Acid

Inquiry

Molecular Formula:

C6H6ClO2B

Molecular Weight:

156.37

CAS Number:

3900-89-8

Catalog Number:

3900-89-8

Product Information

Molecular Formula:

C6H6ClO2B

Molecular Weight:

156.37

Description

2-Chlorophenylboronic Acid used in the preparation of imidazo[1,2-a]pyridine amides which has tuberculostatic activity.

Synonyms

(2-chlorophenyl)boronic acid; (2-chlorophenyl)boronic acid

IUPAC Name

(2-chlorophenyl)boronic acid

Canonical SMILES

B(C1=CC=CC=C1Cl)(O)O

InChI

InChI=1S/C6H6BClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H

InChI Key

RRCMGJCFMJBHQC-UHFFFAOYSA-N

Boiling Point

306.3 °C at 760 mmHg

Melting Point

92-102 °C (lit.)

Flash Point

Not applicable

Purity

≥ 95.0 %

Density

1.32 g/cm³

LogP

0.01980

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

156.0149373 g/mol

Monoisotopic Mass

156.0149373 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

110

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)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

2-Chlorophenylboronic Acid

Product Information

Computed Properties

Related Products