3-chloro-4-ethoxyphenylboronic acid

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
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
200.0411520 g/mol
Monoisotopic Mass
200.0411520 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
156
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-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-dioxygénase et/ou du tryptophane dioxygénase 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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