3-AMINO-4-CHLOROPHENYLBORONIC ACID
Product Information
Molecular Formula
C6H7BClNO2
Molecular Weight
171.39
Description
3-Amino-4-chlorophenylboronic acid, a highly significant and extensively utilized chemical compound within the biomedical realm, emerges as an invaluable key intermediate in the synthetic journey of diverse medicinal drugs. By effectively fostering the creation of pharmaceutical agents, this compound profoundly impacts the combat against cancer, diabetes, and an array of ailments.
Synonyms
3-AMINO-4-CHLOROPHENYLBORONIC ACID
IUPAC Name
(3-amino-4-chlorophenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)Cl)N)(O)O
InChI
InChI=1S/C6H7BClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H,9H2
InChI Key
CSGAGFPHVVBHDF-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
98%
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
171.0258363 g/mol
Monoisotopic Mass
171.0258363 g/mol
Topological Polar Surface Area
66.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136
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
