3-BROMO-5-METHYLPHENYLBORONIC ACID
Product Information
Molecular Formula
C7H8BBrO2
Molecular Weight
214.85
Description
3-Bromo-5-Methylphenylboronic Acid, a paramount reagent extensively utilized in the realm of biomedicine, assumes a pivotal role in the synthetic procedures of pharmaceuticals and novel drug exploration. Exhibiting remarkable versatility, this compound serves as a therapeutic agent in addressing a myriad of afflictions such as cancer, inflammation, and neurological maladies. Owing to its extraordinary attributes, this compound emerges as an indispensable component in the realms of drug advancement and scientific investigation.
Synonyms
3-BROMO-5-METHYLBENZENEBORONIC ACID; 3-BROMO-5-METHYLPHENYLBORONIC ACID; AKOS BRN-0928; 3-Bromo-5-methylbenzeneboronic acid 97%
IUPAC Name
(3-bromo-5-methylphenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1)Br)C)(O)O
InChI
InChI=1S/C7H8BBrO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3
InChI Key
KKEPYOBFWSGWLQ-UHFFFAOYSA-N
Melting Point
278-283 °C (lit.)
Purity
97%
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
213.98007 g/mol
Monoisotopic Mass
213.98007 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
132
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
