3-BROMO-2-PROPOXYPHENYLBORONIC ACID
Product Information
Molecular Formula
C9H12BBrO3
Description
3-Bromo-2-propoxyphenylboronic acid, an indispensable organic compound in the biomedical sector, finds extensive utility in the amalgamation of diverse therapeutic agents and medicinal entities, thereby facilitating the combat against afflictions encompassing malignancies, diabetes, and inflammatory maladies. Its distinctive molecular framework and properties endow it with paramount significance as a fundamental constituent within the realm of pharmaceutical exploration and advancement.
Synonyms
(3-bromo-2-propoxyphenyl)boronic acid; (3-bromo-2-propoxyphenyl)boronicacid
IUPAC Name
(3-bromo-2-propoxyphenyl)boronic acid
SMILES
B(C1=C(C(=CC=C1)Br)OCCC)(O)O
InChI
InChI=1S/C9H12BBrO3/c1-2-6-14-9-7(10(12)13)4-3-5-8(9)11/h3-5,12-13H,2,6H2,1H3
InChI Key
QILIDAIRUWTFHF-UHFFFAOYSA-N
Boiling Point
388°C at 760 mmHg
Melting Point
56-60°C(lit.)
Purity
98%
Density
1.47g/cm3
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
258.00629 g/mol
Monoisotopic Mass
258.00629 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
168
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
