Benzoicacid, 3-borono-5-bromo-
Product Information
Molecular Formula
C7H6 B Br O4
Molecular Weight
244.83514
Description
Benzoicacid, 3-borono-5-bromo- demonstrates sheer indispensability in the biomedical industry as a pivotal catalyst for synthesizing a wide range of pharmaceutical drugs. Its unparalleled and distinctive borono and bromo functionalities bestow it with remarkable medicinal attributes, rendering it an exceptional reactant in pioneering therapeutic explorations. By encompassing a key role in combating multifaceted afflictions including cancers, bacterial and fungal infections, as well as inflammatory disorders, this compound exhibits unfathomable versatility and promising prospects.
Synonyms
3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97; 3-BROMO-5-CARBOXYBENZENEBORONIC ACID; 3-BROMO-5-CARBOXYPHENYLBORONIC ACID; 3-Bromo-5-carboxybenzeneboronic acid 97%; 3-Borono-5-bromobenzoic acid
IUPAC Name
3-borono-5-bromobenzoic acid
SMILES
B(C1=CC(=CC(=C1)Br)C(=O)O)(O)O
InChI
InChI=1S/C7H6BBrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key
CWBLIPMCDMSOFX-UHFFFAOYSA-N
Melting Point
152-158 °C
Purity
98%
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
243.95425 g/mol
Monoisotopic Mass
243.95425 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
