3-Cyano-4-methylphenylboronic acid

Inquiry

Molecular Formula:

C8H8BNO2

Molecular Weight:

160.97

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

161.0648087 g/mol

Monoisotopic Mass

161.0648087 g/mol

Topological Polar Surface Area

64.2Å²

Heavy Atom Count

Formal Charge

Complexity

199

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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