3,5-Diformylphenylboronic acid

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Molecular Formula:

C8H7BO4

Molecular Weight:

177.95

CAS Number:

480424-62-2

Catalog Number:

480424-62-2

Product Information

Molecular Formula:

C8H7BO4

Molecular Weight:

177.95

Description

Reactant involved in: Studies of surface-tension of enzyme inhibitors; Synthesis of bacteriochlorins; Studies of the activation parameters for recomination reactions of intramolecular redical pairs; Reactivity studies with diethanolamine; Regioselective 15-bromination and functionalization of bacteriochlorins; Synthesis of multicomponent assemblies of boron-based dendritic nanostructures.

Synonyms

(3,5-diformylphenyl)boronic acid

IUPAC Name

(3,5-diformylphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C8H7BO4/c10-4-6-1-7(5-11)3-8(2-6)9(12)13/h1-5,12-13H

InChI Key

RIFBPKDFVPXQQH-UHFFFAOYSA-N

Boiling Point

432.4 °C at 760 mmHg

Melting Point

255-259 °C (Dec.) (lit.)

Flash Point

Not applicable

Purity

≥ 95 %

Density

1.32 g/cm³

LogP

-1.00860

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

178.0437389 g/mol

Monoisotopic Mass

178.0437389 g/mol

Topological Polar Surface Area

74.6Å²

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

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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-Diformylphenylboronic acid

Product Information

Computed Properties

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