(6-bromo-2,3-difluorophenyl)-Boronic acid

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Molecular Formula:

C6H4BBrF2O2

Molecular Weight:

236.81

CAS Number:

870718-10-8

Catalog Number:

870718-10-8

Product Information

Molecular Formula:

C6H4BBrF2O2

Molecular Weight:

236.81

Description

6-bromo-2,3-difluorophenyl-Boronic Acid, a boronic acid derivative, is frequently employed within the realm of palladium-catalyzed cross-coupling reactions. This complex biochemical constituent, possessing unique potential within the spheres of medicinal chemistry and drug discovery, is notably affiliated with anticancer pharmacological development endeavors.

Synonyms

2-Bromo-5,6-difluorophenylboronic acid

IUPAC Name

(6-bromo-2,3-difluorophenyl)boronic acid

Canonical SMILES

B(C1=C(C=CC(=C1F)F)Br)(O)O

InChI

InChI=1S/C6H4BBrF2O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H

InChI Key

VZVDYVBOSRNBQL-UHFFFAOYSA-N

Purity

96%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

235.94558 g/mol

Monoisotopic Mass

235.94558 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

161

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

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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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(6-bromo-2,3-difluorophenyl)-Boronic acid

Product Information

Computed Properties

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