3,6-DIBROMO-2-FLUOROPHENYLBORONIC ACID

Inquiry

Molecular Formula:

C6H4BBr2FO2

CAS Number:

870778-92-0

Catalog Number:

870778-92-0

Product Information

Molecular Formula:

C6H4BBr2FO2

Description

3,6-DIBROMO-2-FLUOROPHENYLBORONIC ACID is widely used in the development and research of drugs for cancer, autoimmune diseases, inflammatory diseases and other diseases.

Synonyms

(3,6-Dibromo-2-fluorophenyl)boronic acid; (3,6-Dibromo-2-fluorophenyl)boronicacid; (3,6-Dibromo-2-fluoro-phenyl)boronic acid

IUPAC Name

(3,6-dibromo-2-fluorophenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C6H4BBr2FO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H

InChI Key

KALJKPUYTUFGLI-UHFFFAOYSA-N

Boiling Point

373°C at 760 mmHg

Purity

98%

Density

2.15g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

297.86346 g/mol

Monoisotopic Mass

295.86551 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

161

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

Patents

Publication Number	Title	Priority Date
US-2012149693-A1	Therapeutic compounds	2009-05-05
US-2015315127-A1	Therapeutic compounds	2009-05-05
US-9024071-B2	Therapeutic compounds	2009-05-05

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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3,6-DIBROMO-2-FLUOROPHENYLBORONIC ACID

Product Information

Computed Properties

Patents

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