3-Bromo-5-butoxyphenylboronic acid
Product Information
Molecular Formula
C10H14BBrO3
Molecular Weight
272.9
Description
3-Bromo-5-butoxyphenylboronic acid is a biomedical compound commonly used in research and drug development. It acts as a boronic acid derivative, exhibiting potential inhibitory effects against specific enzymes and proteins involved in various diseases, including cancer. This compound is valuable for designing targeted therapies and developing novel pharmaceuticals to treat specific drug-resistant tumors or other diseases.
Synonyms
(3-bromo-5-butoxyphenyl)boronicacid; 3-Bromo-5-butoxyphenylboronicacid; 1072951-84-8; (3-Bromo-5-butoxyphenyl)boronicacid; ACMC-2098tr; 661961_ALDRICH
IUPAC Name
(3-bromo-5-butoxyphenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1)Br)OCCCC)(O)O
InChI
InChI=1S/C10H14BBrO3/c1-2-3-4-15-10-6-8(11(13)14)5-9(12)7-10/h5-7,13-14H,2-4H2,1H3
InChI Key
OWWZXOTWNAQSTF-UHFFFAOYSA-N
Melting Point
116-123 °C
Purity
98%
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
272.02194 g/mol
Monoisotopic Mass
272.02194 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
180
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
