Imidazole-2-Boronic Acid
Product Information
Molecular Formula
C3H5N2O2B
Molecular Weight
111.89500
Description
Imidazole-2-Boronic Acid is an indispensable chemical compound extensively employed in the biomedical industry. It assumes a pivotal function in the progression of drugs employed to combat a myriad of ailments encompassing cancer, diabetes, and inflammation. Distinguished by its exceptional characteristics, this compound showcases unparalleled versatility as a foundational unit facilitating the synthesis of potent pharmaceutical agents, thus propelling advancements in the realm of biomedicine.
Synonyms
1H-imidazol-2-ylboronic acid; IMIDAZOLE-2-BORONIC ACID; (1H-imidazol-2-yl)boronic acid; 1H-Imidazole-2-yl-boronic acid; 1H-Imidazol-2-ylboronic acid, HCl; Boronic acid, B-1H-imidazol-2-yl-; (1H-Imidazol-2-yl)boronic; 1H-imidazole-2-boronic acid; (1H-imidazol-2-yl)boronicacid; Imidazole-2-boronic acid
IUPAC Name
1H-imidazol-2-ylboronic acid
SMILES
B(C1=NC=CN1)(O)O
InChI
InChI=1S/C3H5BN2O2/c7-4(8)3-5-1-2-6-3/h1-2,7-8H,(H,5,6)
InChI Key
JKCHHDHEHOKKQP-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
112.0444076 g/mol
Monoisotopic Mass
112.0444076 g/mol
Topological Polar Surface Area
69.1Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
79.7
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
