3,5-dichloro-4-methoxybenzeneboronic acid
Product Information
Molecular Formula
C7H7BCl2O3
Molecular Weight
220.85
Description
3,5-dichloro-4-methoxybenzeneboronic acid is a vital compound utilized in the biomedical industry. With its unique chemical structure, it is extensively employed in the synthesis and development of various pharmaceutical drugs. This product plays an important role in drug discovery for specific diseases such as cancer and autoimmune diseases.
Synonyms
(3,5-dichloro-4-methoxyphenyl)boronic acid; 3,5-Dichloro-4-methoxybenzeneboronic acid; (3,5-dichloro-4-methoxyphenyl)boronicacid; 3,5-dichloro-4-methoxybenzeneboronic acid
IUPAC Name
(3,5-dichloro-4-methoxyphenyl)boronic acid
SMILES
B(C1=CC(=C(C(=C1)Cl)OC)Cl)(O)O
InChI
InChI=1S/C7H7BCl2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,11-12H,1H3
InChI Key
JHCLSOGJYUVJNQ-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H319
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
219.9865296 g/mol
Monoisotopic Mass
219.9865296 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
158
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
