(3-chloro-2-methylphenyl)boronic acid

Name: (3-chloro-2-methylphenyl)boronic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C7H8BClO2

Molecular Weight:

170.40

Product Information

Molecular Formula:

C7H8BClO2

Molecular Weight:

170.40

Description

(3-chloro-2-methylphenyl)boronic acid is a pharmaceutical intermediate vital in the development of various drugs. It is commonly used in Suzuki coupling reactions to synthesize bioactive molecules for disease research including cancer.

Synonyms

3-CHLORO-2-METHYLPHENYLBORONIC ACID; 3-CHLORO-2-METHYLPHENYBORONIC ACID; 3-Chloro-2-methylbenzeneboronic acid; Boronic acid, (3-chloro-2-methylphenyl)-; (3-chloro-2-methyl-phenyl)boronic Acid; -Chloro-2-methyl-phenylboronic Acid; 3-Chloro-2-methyl phenyl boronic acid; (3-chloro-2-methylphenyl)boronic acid

IUPAC Name

(3-chloro-2-methylphenyl)boronic acid

Canonical SMILES

B(C1=C(C(=CC=C1)Cl)C)(O)O

InChI

InChI=1S/C7H8BClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3

InChI Key

BJPNVVXTUYMJPN-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

170.0305874 g/mol

Monoisotopic Mass

170.0305874 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

132

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
WO-2022047230-A1	Compounds, compositions and methods for histone lysine demethylase inhibition	2020-08-28
US-2021269434-A1	Tricyclic compounds as inhibitors of kras	2020-01-10
WO-2021142252-A1	Tricyclic compounds as inhibitors of kras	2020-01-10
WO-2019149965-A1	Compounds and compositions for the treatment of pain	2018-02-05
AU-2019213484-A1	Compounds and compositions for the treatment of pain	2018-02-05
CA-3086668-A1	Compounds and compositions for the treatment of pain	2018-02-05
CN-111683660-A	Compounds and compositions for the treatment of pain	2018-02-05
EP-3749305-A1	Compounds and compositions for the treatment of pain	2018-02-05
KR-20200118005-A	Compounds and compositions for the treatment of pain	2018-02-05
BR-112020014146-A2	COMPOUNDS AND COMPOSITIONS FOR PAIN TREATMENT	2018-02-05