2-BROMO-4,5-DIFLUOROPHENYLBORONIC ACID

Product Information

Molecular Formula:
C6H4BBrF2O2
Description
2-Bromo-4,5-Difluorophenylboronic Acid is a pharmaceutical intermediate often used in the synthesis of various medicinal compounds. It plays a crucial role in drug development, particularly in cancer research and treatments due to its ability to form stable carbon-boron bonds.
Synonyms
(2-Bromo-4,5-difluorophenyl)boronic acid; (2-Bromo-4,5-difluorophenyl)boronicacid; 2-Bromo-4,5-difluorobenzeneboronic acid; B-(2-Bromo-4,5-difluorophenyl)boronic acid
IUPAC Name
(2-bromo-4,5-difluorophenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1Br)F)F)(O)O
InChI
InChI=1S/C6H4BBrF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H
InChI Key
LUHSZNLWFYNKCZ-UHFFFAOYSA-N
Boiling Point
315.759°C at 760 mmHg
Melting Point
231-236°C(lit.)
Purity
95%
Density
1.824g/cm3

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
235.94558 g/mol
Monoisotopic Mass
235.94558 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
WO-2013142390-A1 Aldo-keto reductase subfamily 1c3 (akr1c3) inhibitors 2012-03-21
US-2012149693-A1 Therapeutic compounds 2009-05-05
US-2015315127-A1 Therapeutic compounds 2009-05-05
US-9024071-B2 Therapeutic compounds 2009-05-05
AU-2007256860-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase 2006-06-02
BR-PI0712123-A2 tricyclically fused gamma secretase sulfonamide inhibitors. 2006-06-02
CA-2651550-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase 2006-06-02
EP-2038280-A2 Fused, tricyclic sulfonamide inhibitors of gamma secretase 2006-06-02
EP-2450358-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase 2006-06-02
JP-2009539773-A Molten tricyclic sulfonamide γ-secretase inhibitor 2006-06-02
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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