3-Bromo-5-fluoro-2-methoxyphenylboronic acid
Product Information
Molecular Formula
C7H7BBrFO3
Molecular Weight
248.84
Description
3-Bromo-5-fluoro-2-methoxyphenylboronic acid is an intriguing compound that has piqued the interest of the biomedical industry. Imbued with the distinctive traits inherent in boron-containing compounds, it serves as an invaluable asset in the realm of drug discovery. It has good potential in areas such as cancer research, diabetes treatment and inflammation research.
Synonyms
(3-Bromo-5-fluoro-2-methoxyphenyl)boronic acid; 3-BROMO-5-FLUORO-2-METHOXYPHENYLBORONIC&; (3-Bromo-5-fluoro-2-methoxyphenyl)boronicacid; (3-Bromo-5-fluoro-2-methoxyphenyl)-boronicacid; (3-Bromo-5-fluoro-2-methoxy-phenyl)boronic acid
IUPAC Name
(3-bromo-5-fluoro-2-methoxyphenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1OC)Br)F)(O)O
InChI
InChI=1S/C7H7BBrFO3/c1-13-7-5(8(11)12)2-4(10)3-6(7)9/h2-3,11-12H,1H3
InChI Key
FUSHKJRKYBGAQH-UHFFFAOYSA-N
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
247.96556 g/mol
Monoisotopic Mass
247.96556 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
172
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
