2-Ethoxy-5-fluorophenylboronic acid

Inquiry

Molecular Formula:

C8H10BFO3

Molecular Weight:

183.97

CAS Number:

864301-27-9

Catalog Number:

864301-27-9

Product Information

Molecular Formula:

C8H10BFO3

Molecular Weight:

183.97

Description

2-Ethoxy-5-fluorophenylboronic acid is an important chemical entity that is synthesized to produce a group of bioactive molecules. It can be used to create drug formulations against various malignancies and a variety of infectious diseases.

Synonyms

2-ETHOXY-5-FLUOROPHENYLBORONIC ACID; AKOS BRN-0892; 5-FLUORO-2-ETHOXYPHENYLBORONIC ACID; UKRORGSYN-BB BBV-2090530

IUPAC Name

(2-ethoxy-5-fluorophenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C8H10BFO3/c1-2-13-8-4-3-6(10)5-7(8)9(11)12/h3-5,11-12H,2H2,1H3

InChI Key

LOVFKIWGXGWXLN-UHFFFAOYSA-N

Melting Point

108-113 °C (lit.)

Purity

98%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

184.0707025 g/mol

Monoisotopic Mass

184.0707025 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

156

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-Ethoxy-5-fluorophenylboronic acid

Product Information

Computed Properties

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