6-Bromo-2-fluoro-3-iodophenylboronic acid

Inquiry

Molecular Formula:

C6H4BBrFIO2

Molecular Weight:

344.7

CAS Number:

1072951-90-6

Catalog Number:

1072951-90-6

Product Information

Molecular Formula:

C6H4BBrFIO2

Molecular Weight:

344.7

Description

6-Bromo-2-fluoro-3-iodophenylboronic acid is an indispensable compound in the biomedical industry and showcases tremendous potential in the drug development of diverse ailments. As a derivative of boronic acid, it harbors great promise in the realm of pharmaceutical development geared towards combatting conditions like cancer, diabetes, and inflammation. Capitalizing on its distinctive chemical composition, this compound paves the way for invaluable revelations in the pursuit of refined therapeutic approaches and breakthrough drug exploration.

Synonyms

(6-bromo-2-fluoro-3-iodophenyl)boronicacid; 6-Bromo-2-fluoro-3-iodophenylboronicacid; 1072951-90-6; (6-Bromo-2-fluoro-3-iodophenyl)boronicacid; C6H4BBrFIO2; ACMC-2098tx

IUPAC Name

(6-bromo-2-fluoro-3-iodophenyl)boronic acid

Canonical SMILES

B(C1=C(C=CC(=C1F)I)Br)(O)O

InChI

InChI=1S/C6H4BBrFIO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2,11-12H

InChI Key

OZLRLKXUEMIENO-UHFFFAOYSA-N

Melting Point

156-160 °C

Flash Point

Not applicable

Purity

97%

Appearance

White to tan solid

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

343.85165 g/mol

Monoisotopic Mass

343.85165 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

163

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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6-Bromo-2-fluoro-3-iodophenylboronic acid

Product Information

Computed Properties

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