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3-Chloro-4-(3,5-dimethoxybenzyloxy)phenylboronic acid

3-Chloro-4-(3,5-dimethoxybenzyloxy)phenylboronic acid

Inquiry

Molecular Formula:

C15H16BClO5

Molecular Weight:

322.55

CAS Number:

849062-24-4

Catalog Number:

849062-24-4

Product Information

Molecular Formula:

C15H16BClO5

Molecular Weight:

322.55

Description

3-Chloro-4-(3,5-dimethoxybenzyloxy)phenylboronic acid is an indispensable compound in the field of biomedicine and assumes a pivotal role towards the advancement of disease-specific therapeutic agents. Its multifarious applicability encompasses the treatment of diverse medical conditions encompassing oncological afflictions, inflammatory maladies, and disorders pertaining to the neurological domain.

Synonyms

(3-Chloro-4-((3,5-dimethoxybenzyl)oxy)phenyl)boronic acid; [3-chloro-4-[(3,5-dimethoxyphenyl)methoxy]phenyl]boronic acid; 3-Chloro-4-(3',5'-dimethoxybenxyloxy)ph&; {3-Chloro-4-[(3,5-dimethoxyphenyl)methoxy]phenyl}boronic acid; (3-Chloro-4-((3,5-dimethoxybenzyl)oxy)phenyl)boronicacid

IUPAC Name

[3-chloro-4-[(3,5-dimethoxyphenyl)methoxy]phenyl]boronic acid

Canonical SMILES

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

InChI

InChI=1S/C15H16BClO5/c1-20-12-5-10(6-13(8-12)21-2)9-22-15-4-3-11(16(18)19)7-14(15)17/h3-8,18-19H,9H2,1-2H3

InChI Key

ALGYTGHGIFYXPT-UHFFFAOYSA-N

Melting Point

185-190 °C (lit.)

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

322.0779315 g/mol

Monoisotopic Mass

322.0779315 g/mol

Topological Polar Surface Area

68.2Å²

Heavy Atom Count

Formal Charge

Complexity

321

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

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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3-Chloro-4-(3,5-dimethoxybenzyloxy)phenylboronic acid

Product Information

Computed Properties

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