3-BROMO-5-METHYLPHENYLBORONIC ACID

Inquiry

Molecular Formula:

C7H8BBrO2

Molecular Weight:

214.85

CAS Number:

849062-36-8

Catalog Number:

849062-36-8

Product Information

Molecular Formula:

C7H8BBrO2

Molecular Weight:

214.85

Description

3-Bromo-5-Methylphenylboronic Acid, a paramount reagent extensively utilized in the realm of biomedicine, assumes a pivotal role in the synthetic procedures of pharmaceuticals and novel drug exploration. Exhibiting remarkable versatility, this compound serves as a therapeutic agent in addressing a myriad of afflictions such as cancer, inflammation, and neurological maladies. Owing to its extraordinary attributes, this compound emerges as an indispensable component in the realms of drug advancement and scientific investigation.

Synonyms

3-BROMO-5-METHYLBENZENEBORONIC ACID; 3-BROMO-5-METHYLPHENYLBORONIC ACID; AKOS BRN-0928; 3-Bromo-5-methylbenzeneboronic acid 97%

IUPAC Name

(3-bromo-5-methylphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C7H8BBrO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3

InChI Key

KKEPYOBFWSGWLQ-UHFFFAOYSA-N

Melting Point

278-283 °C (lit.)

Purity

97%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

213.98007 g/mol

Monoisotopic Mass

213.98007 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

132

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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3-BROMO-5-METHYLPHENYLBORONIC ACID

Product Information

Computed Properties

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