2-Fluoro-5-propoxyphenylboronic acid

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Molecular Formula:

C9H12BFO3

Molecular Weight:

198

CAS Number:

863248-36-6

Catalog Number:

863248-36-6

Product Information

Molecular Formula:

C9H12BFO3

Molecular Weight:

198

Description

2-Fluoro-5-propoxyphenylboronic acid is a versatile reagent used in biomedical research. It is often implemented in the synthesis of pharmaceuticals, particularly in the creation of targeted therapies for cancer treatment owing to its ability to form stable boronic esters.

Synonyms

2-FLUORO-5-PROPOXYPHENYLBORONIC ACID

IUPAC Name

(2-fluoro-5-propoxyphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C9H12BFO3/c1-2-5-14-7-3-4-9(11)8(6-7)10(12)13/h3-4,6,12-13H,2,5H2,1H3

InChI Key

ZFTDUFUEQNIBCF-UHFFFAOYSA-N

Melting Point

82-87 °C (lit.)

Purity

98%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

198.0863526 g/mol

Monoisotopic Mass

198.0863526 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

168

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-propoxyphenylboronic acid

Product Information

Computed Properties

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