2-Carboxy-5-fluorophenylboronic acid

Inquiry

Molecular Formula:

C7H6BFO4

Molecular Weight:

183.93

Product Information

Molecular Formula:

C7H6BFO4

Molecular Weight:

183.93

Description

2-Carboxy-5-fluorophenylboronic acid, employed in drug synthesis as a biomedical catalyst, functions as a critical segue in constructing definitive anti-cancer and antimicrobial medicaments. A particular emphasis pertains to therapies focusing on colorectal malignancies and Gram-negative bacterial infections.

Synonyms

2-borono-4-fluorobenzoic acid; 2-Carboxy-5-fluorobenzeneboronic acid; 2-CARBOXY-5-FLUOROPHENYLBORONIC ACID; 2-Carboxy-5-flourophenylboronic acid; 2-Borono-4-fluoro-benzoic acid; 2-Carboxy-5-fluorophenylboronic acid; 2-(dihydroxyboranyl)-4-fluorobenzoic acid; 5-FLUORO-2-CARBOXYPHENYLBORONIC ACID; 5-Fluoro-2-carboxyphenylboronicacid

IUPAC Name

2-borono-4-fluorobenzoic acid

Canonical SMILES

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

InChI

InChI=1S/C7H6BFO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,12-13H,(H,10,11)

InChI Key

OSMLMMRXRIGREO-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

184.0343170 g/mol

Monoisotopic Mass

184.0343170 g/mol

Topological Polar Surface Area

77.8Å²

Heavy Atom Count

Formal Charge

Complexity

199

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-Carboxy-5-fluorophenylboronic acid

Product Information

Safety Information

Computed Properties

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