3,6-DIBROMO-2-FLUOROPHENYLBORONIC ACID

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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
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
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
297.86346 g/mol
Monoisotopic Mass
295.86551 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
161
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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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