3-Methoxy-2,4,6-trifluorophenylboronic acid

Inquiry

Molecular Formula:

C7H6BF3O3

CAS Number:

849062-08-4

Catalog Number:

849062-08-4

Product Information

Molecular Formula:

C7H6BF3O3

Description

3-Methoxy-2,4,6-trifluorophenylboronic acid is a biomedical small molecule entity that is widely used in drug development for oncology, inflammation and metabolic diseases.

Synonyms

(2,4,6-TRIFLUORO-3-METHOXYPHENYL)BORONIC ACID; 2,4,6-TRIFLUORO-3-METHOXYPHENYLBORONIC ACID; B-(2,4,6-Trifluoro-3-methoxy-phenyl)boronic acid; (2,4,6-TRIFLUORO-3-METHOXYPHENYL)BORONICACID

IUPAC Name

(2,4,6-trifluoro-3-methoxyphenyl)boronic acid

Canonical SMILES

B(C1=C(C(=C(C=C1F)F)OC)F)(O)O

InChI

InChI=1S/C7H6BF3O3/c1-14-7-4(10)2-3(9)5(6(7)11)8(12)13/h2,12-13H,1H3

InChI Key

RDORBPOVXUMTLU-UHFFFAOYSA-N

Boiling Point

315.9°C at 760 mmHg

Purity

96%

Density

1.43g/cm3

Appearance

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

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

206.0362087 g/mol

Monoisotopic Mass

206.0362087 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

195

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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Volume _(start)

Concentration _(final)

Volume _(final)

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3-Methoxy-2,4,6-trifluorophenylboronic acid

Product Information

Computed Properties

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