4-Bromo-2,6-difluorophenylboronic Acid

Inquiry

Molecular Formula:

C6H4BrF2O2B

Molecular Weight:

236.81

CAS Number:

352535-81-0

Catalog Number:

352535-81-0

Product Information

Molecular Formula:

C6H4BrF2O2B

Molecular Weight:

236.81

Description

4-Bromo-2,6-difluorophenylboronic Acid (CAS# 352535-81-0) is a useful research chemical.

Synonyms

(4-bromo-2,6-difluorophenyl)boronic acid; (4-bromo-2,6-difluorophenyl)boronic acid

IUPAC Name

(4-bromo-2,6-difluorophenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C6H4BBrF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H

InChI Key

QHYNAULNEIXXPC-UHFFFAOYSA-N

Boiling Point

298.4 °C at 760 mmHg

Melting Point

155-160 °C (lit.)

Density

1.82 g/cm³

LogP

0.40710

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

235.94558 g/mol

Monoisotopic Mass

235.94558 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

149

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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4-Bromo-2,6-difluorophenylboronic Acid

Product Information

Computed Properties

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