2-Carboxy-5-fluorophenylboronic acid
Product Information
Molecular Formula
C7H6BFO4
Molecular Weight
183.93
Description
2-Carboxy-5-fluorophenylboronic acid, employed in drug synthesis as a biomedical catalyst, functions as a critical segue in constructing definitive anti-cancer and antimicrobial medicaments. A particular emphasis pertains to therapies focusing on colorectal malignancies and Gram-negative bacterial infections.
Synonyms
2-borono-4-fluorobenzoic acid; 2-Carboxy-5-fluorobenzeneboronic acid; 2-CARBOXY-5-FLUOROPHENYLBORONIC ACID; 2-Carboxy-5-flourophenylboronic acid; 2-Borono-4-fluoro-benzoic acid; 2-Carboxy-5-fluorophenylboronic acid; 2-(dihydroxyboranyl)-4-fluorobenzoic acid; 5-FLUORO-2-CARBOXYPHENYLBORONIC ACID; 5-Fluoro-2-carboxyphenylboronicacid
IUPAC Name
2-borono-4-fluorobenzoic acid
SMILES
B(C1=C(C=CC(=C1)F)C(=O)O)(O)O
InChI
InChI=1S/C7H6BFO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key
OSMLMMRXRIGREO-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
184.0343170 g/mol
Monoisotopic Mass
184.0343170 g/mol
Topological Polar Surface Area
77.8Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
199
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
