5-Acetyl-2-fluorophenylboronic Acid

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Molecular Formula:

C8H8FO3B

Molecular Weight:

181.96

CAS Number:

870777-29-0

Catalog Number:

870777-29-0

Product Information

Molecular Formula:

C8H8FO3B

Molecular Weight:

181.96

Description

5-Acetyl-2-fluorophenylboronic Acid (CAS# 870777-29-0) is a useful research chemical.

Synonyms

(5-acetyl-2-fluorophenyl)boronic acid; (5-acetyl-2-fluorophenyl)boronic acid

IUPAC Name

(5-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)6-2-3-8(10)7(4-6)9(12)13/h2-4,12-13H,1H3

InChI Key

FQVNUEBNRAIKBR-UHFFFAOYSA-N

Boiling Point

376.1 °C at760 mmHg

Melting Point

112-117 °C (lit.)

Density

1.28 g/cm³

LogP

-0.29190

Safety Information

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

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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5-Acetyl-2-fluorophenylboronic Acid

Product Information

Safety Information

Computed Properties

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