2-Bromo-6-fluoro-3-methoxyphenylboronic acid

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Molecular Formula:

C7H7BBrFO3

CAS Number:

957062-89-4

Catalog Number:

957062-89-4

Product Information

Molecular Formula:

C7H7BBrFO3

Description

2-Bromo-6-fluoro-3-methoxyphenylboronic acid is a specialized reagent in biomedical research, often utilized in palladium-catalyzed cross-coupling reactions. The substance has been implicated in the synthesis of various pharmaceuticals, including drugs targeted at fighting certain cancers and neurodegenerative diseases.

Synonyms

2-Bromo-6-fluoro-3-methoxybenzeneboronic acid

IUPAC Name

(2-bromo-6-fluoro-3-methoxyphenyl)boronic acid

Canonical SMILES

B(C1=C(C=CC(=C1Br)OC)F)(O)O

InChI

InChI=1S/C7H7BBrFO3/c1-13-5-3-2-4(10)6(7(5)9)8(11)12/h2-3,11-12H,1H3

InChI Key

WCXHRSAUPYPWHO-UHFFFAOYSA-N

Melting Point

130-135 °C

Purity

98%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

247.96556 g/mol

Monoisotopic Mass

247.96556 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

172

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-Bromo-6-fluoro-3-methoxyphenylboronic acid

Product Information

Computed Properties

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