2-Fluoro-5-iodophenylboronic acid

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Molecular Formula:

C6H5BFIO2

Molecular Weight:

265.82

CAS Number:

866683-41-2

Catalog Number:

866683-41-2

Product Information

Molecular Formula:

C6H5BFIO2

Molecular Weight:

265.82

Description

2-Fluoro-5-iodophenylboronic acid is an organic compound utilized in biomedical research. It plays a pivotal role in the synthesis of pharmaceuticals, particularly drugs targeting cancers. Its application extends to the production of radiotracers for PET imaging in diagnostic medicine.

Synonyms

2-FLUORO-5-IODOPHENYLBORONIC ACID

IUPAC Name

(2-fluoro-5-iodophenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C6H5BFIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,10-11H

InChI Key

QZPDCZSOVJLEKB-UHFFFAOYSA-N

Melting Point

>230 °C (lit.)

Purity

98%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

265.94114 g/mol

Monoisotopic Mass

265.94114 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

136

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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2-Fluoro-5-iodophenylboronic acid

Product Information

Computed Properties

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