3-BUTOXY-2,6-DIFLUOROPHENYLBORONIC ACID

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Molecular Formula:

C10H13BF2O3

CAS Number:

849062-15-3

Catalog Number:

849062-15-3

Product Information

Molecular Formula:

C10H13BF2O3

Description

3-BUTOXY-2,6-DIFLUOROPHENYLBORONIC ACID, a remarkable chemical compound prominently employed in the biomedical sector, exhibits its efficacy as an unrivalled inhibitor by selectively attenuating distinctive enzymes implicated in the advancement of multifarious maladies encompassing cancer and inflammation.

Synonyms

(3-Butoxy-2,6-difluorophenyl)boronic acid; (3-Butoxy-2,6-difluorophenyl)boronicacid

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C10H13BF2O3/c1-2-3-6-16-8-5-4-7(12)9(10(8)13)11(14)15/h4-5,14-15H,2-3,6H2,1H3

InChI Key

LWJYMUNYLKIETN-UHFFFAOYSA-N

Boiling Point

363.4°C at 760 mmHg

Melting Point

84-94°C(lit.)

Purity

98%

Density

1.22g/cm3

Appearance

White to off-white powder, crystals, crystalline powder and/or chunks

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

230.0925808 g/mol

Monoisotopic Mass

230.0925808 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

207

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-BUTOXY-2,6-DIFLUOROPHENYLBORONIC ACID

Product Information

Computed Properties

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