3,5-Difluoro-4-formylphenylboronic acid

Inquiry

Molecular Formula:

C7H5BF2O3

Molecular Weight:

185.92

CAS Number:

870718-11-9

Catalog Number:

870718-11-9

Product Information

Molecular Formula:

C7H5BF2O3

Molecular Weight:

185.92

Description

Reactant for: Preparation of pyrazolopyrimidinamine derivatives as tyrosine and phosphinositide kinase inhibitors; Preparation of boronate based D-glucose sensors.

Synonyms

(3,5-difluoro-4-formylphenyl)boronic acid

IUPAC Name

(3,5-difluoro-4-formylphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C7H5BF2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-3,12-13H

InChI Key

XWZOKATWICIEMU-UHFFFAOYSA-N

Boiling Point

342.1 °C at 760 mmHg

Melting Point

255-260 °C

Purity

98 %

Density

1.42 g/cm³

LogP

-0.54290

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

186.0299805 g/mol

Monoisotopic Mass

186.0299805 g/mol

Topological Polar Surface Area

57.5Å²

Heavy Atom Count

Formal Charge

Complexity

179

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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3,5-Difluoro-4-formylphenylboronic acid

Product Information

Computed Properties

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