3-ACETYL-2-FLUOROPHENYLBORONIC ACID

Inquiry

Molecular Formula:

C8H8BFO3

CAS Number:

870778-95-3

Catalog Number:

870778-95-3

Product Information

Molecular Formula:

C8H8BFO3

Description

3-ACETYL-2-FLUOROPHENYLBORONIC ACID has unique structural properties and significant reactivity, showing great promise in the development of drugs against a range of diseases from malignant tumors to inflammatory diseases.

Synonyms

(3-Acetyl-2-fluorophenyl)boronic acid; (3-Acetyl-2-fluorophenyl)boronicacid

IUPAC Name

(3-acetyl-2-fluorophenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C8H8BFO3/c1-5(11)6-3-2-4-7(8(6)10)9(12)13/h2-4,12-13H,1H3

InChI Key

SEMRLZGDJZRZMC-UHFFFAOYSA-N

Purity

98%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

182.0550524 g/mol

Monoisotopic Mass

182.0550524 g/mol

Topological Polar Surface Area

57.5Å²

Heavy Atom Count

Formal Charge

Complexity

198

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-ACETYL-2-FLUOROPHENYLBORONIC ACID

Product Information

Computed Properties

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