3-Chloro-4-(3-chlorobenzyloxy)phenylboronic acid

Inquiry

Molecular Formula:

C13H11BCl2O3

Molecular Weight:

296.94

CAS Number:

849062-26-6

Catalog Number:

849062-26-6

Product Information

Molecular Formula:

C13H11BCl2O3

Molecular Weight:

296.94

Description

3-Chloro-4-(3-chlorobenzyloxy)phenylboronic acid is an exquisite and multifaceted biomedicine compound that unfurls its therapeutic significance in combatting myriad afflictions. Possessing the prodigious capacity of inhibiting disease-propelling enzymes, this compound showcases momentous potential in thwarting the progression of commonly encountered neoplastic entities, prominently breast cancer. Furthermore, its alluring attributes extend to encompass the treatment of perplexing autoimmune ailments and vexatious inflammatory disorders.

Synonyms

3-Chloro-4-(3'-chlorobenzyloxy)phenylboronic acid; [3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]boronic acid; 3-Chloro-4-(3'-chlorobenzyloxy)phenylbo&; {3-Chloro-4-[(3-chlorophenyl)methoxy]phenyl}boronic acid; (3-Chloro-4-((3-chlorobenzyl)oxy)phenyl)boronicacid

IUPAC Name

[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]boronic acid

Canonical SMILES

B(C1=CC(=C(C=C1)OCC2=CC(=CC=C2)Cl)Cl)(O)O

InChI

InChI=1S/C13H11BCl2O3/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7,17-18H,8H2

InChI Key

HGXKMYLFVPMNFR-UHFFFAOYSA-N

Melting Point

180-185 °C (lit.)

Safety Information

Hazards

H413

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

296.0178298 g/mol

Monoisotopic Mass

296.0178298 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

281

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-2012245124-A1	TRPV3 Modulators	2011-03-24
US-9012651-B2	TRPV3 modulators	2011-03-24
WO-2012129491-A1	Trpv3 modulators	2011-03-24
WO-2009134754-A1	Benzoimidazole glycinamides as prolyl hydroxylase inhibitors	2008-04-28
US-2009099131-A1	Inhibitors of fatty acid amide hydrolase	2006-10-10
US-2011224171-A1	Inhibitors of fatty acid amide hydrolase	2006-10-10
US-2015344503-A1	Inhibitors of fatty acid amide hydrolase, methods of treatment and methods of preparing same	2006-10-10
US-7947663-B2	Inhibitors of fatty acid amide hydrolase	2006-10-10
US-8329675-B2	Inhibitors of fatty acid amide hydrolase	2006-10-10

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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