2,6-Dibromophenylboronic acid

Inquiry

Molecular Formula:

C6H5BBr2O2

Molecular Weight:

279.72

CAS Number:

851756-50-8

Catalog Number:

851756-50-8

Product Information

Molecular Formula:

C6H5BBr2O2

Molecular Weight:

279.72

Description

2,6-Dibromophenolboronic acid is a boronic acid-derived compound that plays an important role in the refined synthesis of protein inhibitors.

Synonyms

(2,6-Dibromophenyl)boronicacid; 2,6-Dibromophenylboronic acid, 95%

IUPAC Name

(2,6-dibromophenyl)boronic acid

Canonical SMILES

B(C1=C(C=CC=C1Br)Br)(O)O

InChI

InChI=1S/C6H5BBr2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H

InChI Key

VDYVCYLLOZQUBR-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

279.87289 g/mol

Monoisotopic Mass

277.87493 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

124

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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2,6-Dibromophenylboronic acid

Product Information

Computed Properties

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