3-BUTOXY-2,6-DIFLUOROPHENYLBORONIC ACID
Product Information
Molecular Formula
C10H13BF2O3
Description
3-BUTOXY-2,6-DIFLUOROPHENYLBORONIC ACID, a remarkable chemical compound prominently employed in the biomedical sector, exhibits its efficacy as an unrivalled inhibitor by selectively attenuating distinctive enzymes implicated in the advancement of multifarious maladies encompassing cancer and inflammation.
Synonyms
(3-Butoxy-2,6-difluorophenyl)boronic acid; (3-Butoxy-2,6-difluorophenyl)boronicacid
IUPAC Name
(3-butoxy-2,6-difluorophenyl)boronic acid
SMILES
B(C1=C(C=CC(=C1F)OCCCC)F)(O)O
InChI
InChI=1S/C10H13BF2O3/c1-2-3-6-16-8-5-4-7(12)9(10(8)13)11(14)15/h4-5,14-15H,2-3,6H2,1H3
InChI Key
LWJYMUNYLKIETN-UHFFFAOYSA-N
Boiling Point
363.4°C at 760 mmHg
Melting Point
84-94°C(lit.)
Purity
98%
Density
1.22g/cm3
Appearance
White to off-white powder, crystals, crystalline powder and/or chunks
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
230.0925808 g/mol
Monoisotopic Mass
230.0925808 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
207
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
