2-BUTOXY-5-METHYLPHENYLBORONIC ACID

Name: 2-BUTOXY-5-METHYLPHENYLBORONIC ACID
Brand: BOC Sciences
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Molecular Formula:

C11H17BO3

Molecular Weight:

208.06188

CAS Number:

480438-72-0

Catalog Number:

480438-72-0

Product Information

Molecular Formula:

C11H17BO3

Molecular Weight:

208.06188

Description

2-Butoxy-5-methylphenylboronic Acid is a boronic acid derivative extensively used in biomedical research. It's a vital compound for Suzuki coupling reactions in medicinal chemistry, commonly deployed in drug development targeting various diseases.

Synonyms

A-BUTOXY-5-METHYLPHENYLBORONIC ACID; Boronic acid, (2-butoxy-5-methylphenyl)- (9CI)

IUPAC Name

(2-butoxy-5-methylphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C11H17BO3/c1-3-4-7-15-11-6-5-9(2)8-10(11)12(13)14/h5-6,8,13-14H,3-4,7H2,1-2H3

InChI Key

MIFKETUXFNRADI-UHFFFAOYSA-N

Melting Point

85-90 °C (lit.)

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

208.1270746 g/mol

Monoisotopic Mass

208.1270746 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

175

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-BUTOXY-5-METHYLPHENYLBORONIC ACID

Product Information

Computed Properties

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