3,5-Diformyl-2-fluorophenylboronic acid

Inquiry

Molecular Formula:

C8H6BFO4

Molecular Weight:

195.94

CAS Number:

870778-85-1

Catalog Number:

870778-85-1

Product Information

Molecular Formula:

C8H6BFO4

Molecular Weight:

195.94

Description

3,5-Diformyl-2-fluorophenylboronic acid (CAS# 870778-85-1) is a useful research chemical.

Synonyms

(2-fluoro-3,5-diformylphenyl)boronic acid

IUPAC Name

(2-fluoro-3,5-diformylphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C8H6BFO4/c10-8-6(4-12)1-5(3-11)2-7(8)9(13)14/h1-4,13-14H

InChI Key

KKXARFPYUGQNNK-UHFFFAOYSA-N

Boiling Point

435.4 °C at 760 mmHg

Melting Point

235-240 °C (lit.)

Purity

97 %

Density

1.41 g/cm³

LogP

-0.86950

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

196.0343170 g/mol

Monoisotopic Mass

196.0343170 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

223

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-Diformyl-2-fluorophenylboronic acid

Product Information

Computed Properties

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