3-Cyano-4-methylphenylboronic acid
Product Information
Molecular Formula
C8H8BNO2
Molecular Weight
160.97
Description
The wide range of applications of 3-Cyano-4-methylphenylboronic acid include the synthesis of prospective drugs designed to combat various diseases, including cancer, diabetes, and inflammation.
Synonyms
(3-Cyano-4-methylphenyl)boronicacid; (3-Cyano-4-methyl-phenyl)boronic acid; AB59552; B-(3-Cyano-4-methylphenyl)-boronicacid; B-(3-Cyano-4-methylphenyl)boronic acid; 3-Cyano-4-methylphenylboronic acid
IUPAC Name
(3-cyano-4-methylphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)C)C#N)(O)O
InChI
InChI=1S/C8H8BNO2/c1-6-2-3-8(9(11)12)4-7(6)5-10/h2-4,11-12H,1H3
InChI Key
BFFJLRZTXUFIRI-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
161.0648087 g/mol
Monoisotopic Mass
161.0648087 g/mol
Topological Polar Surface Area
64.2Ų
Heavy Atom Count
12
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2020399282-A1 | Inhibitors of trpc6 | 2018-02-15 |
| US-10941171-B2 | Organometallic compound and organic light-emitting device including the same | 2017-11-22 |
| EP-3475262-A1 | Bicyclic imidazole derivaties useful for the treatment of renal disease, cardiovascular diseases and fibrotic disorders | 2016-06-28 |
| US-2020109131-A1 | Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases | 2016-06-28 |
| WO-2018005177-A1 | Bicyclic imidazole derivaties useful for the treatment of renal disease, cardiovascular diseases and fibrotic disorders | 2016-06-28 |
| US-10858342-B2 | Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases | 2016-06-28 |
| EP-3475262-B1 | Bicyclic imidazole derivatives useful for the treatment of renal disease, cardiovascular diseases and fibrotic disorders | 2016-06-28 |
| AU-2014316783-A1 | Compounds and use for treating cancer | 2013-09-09 |
| CA-2923384-A1 | Compounds and use for treating cancer | 2013-09-09 |
| EP-3043801-A2 | Compounds and use for treating cancer | 2013-09-09 |
