3-chloro-4-ethoxyphenylboronic acid

Name: 3-chloro-4-ethoxyphenylboronic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C8H10O3BCl

Molecular Weight:

200.43

CAS Number:

279261-81-3

Catalog Number:

279261-81-3

Product Information

Molecular Formula:

C8H10O3BCl

Molecular Weight:

200.43

Description

3-Chloro-4-ethoxyphenylboronic acid is an indispensable compound employed in the biomedical sector and assumes a pivotal role in synthesizing pharmaceutical agents selectively addressing diverse morbidities, encompassing cancer, diabetes, and inflammation-induced afflictions. Owing to its distinctive configuration, it adeptly engages disease-specific molecular entities, rendering it an imperative instrument within the realm of pharmaceutical explorations and advancements.

Synonyms

AKOS BRN-0596; 3-CHLORO-4-ETHOXYPHENYLBORONIC ACID; 3-CHLORO-4-ETHOXYBENZENEBORONIC ACID; 3-CHLORO-4-ERHOXYPHENYLBONIC ACID; 3-Chloro-4-ethoxypheylboronic acid; 3-Chloro-4-Ethoxyphenylboronic

IUPAC Name

(3-chloro-4-ethoxyphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3

InChI Key

QZMQZKMQXURQNC-UHFFFAOYSA-N

Boiling Point

354.1°C at 760 mmHg

Melting Point

234-239°C

Purity

98%

Density

1.27 g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

200.0411520 g/mol

Monoisotopic Mass

200.0411520 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

156

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-2021139456-A1	Pyridazine compounds for inhibiting nav1.8	2018-07-09
WO-2019138107-A1	Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	2018-01-15
CA-3087807-A1	Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	2018-01-15
CN-111601810-A	Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase	2018-01-15
EP-3740493-A1	Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	2018-01-15
US-2020405696-A1	Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	2018-01-15
JP-2021510706-A	Indoleamine 2,3-dioxygenase and / or tryptophan 2,3-dioxygenase inhibitor	2018-01-15
EP-3740493-B1	Inhibteurs de l'indoleamine 2,3-dioxygÃ©nase et/ou du tryptophane dioxygÃ©nase	2018-01-15
EP-2876109-A1	Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same	2012-07-23
KR-20140018795-A	Furan-containing fused ring compound or salt thereof and pharmaceutical composition comprising same	2012-07-23