4-(4'-FLUOROBENZYLOXY)PHENYLBORONIC ACID

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Molecular Formula:

C13H12BFO3

CAS Number:

871125-82-5

Catalog Number:

871125-82-5

Product Information

Molecular Formula:

C13H12BFO3

Description

4-(4'-FLUOROBENZYLOXY)PHENYLBORONIC ACID is a remarkable boronic acid derivative that finds utmost significance in the realm of biomedicine. Extensively scrutinized for its immense potential, this compound emerges as a focal point in the quest for pioneering medications dedicated to combatting a plethora of ailments. Studies have explored its complex molecular structure and exploited its powerful capabilities to effectively target multiple disease-causing protein receptors and enzymes associated with cancer, malignancies, and painful inflammatory diseases, among others. Disease related.

Synonyms

(4-((4-Fluorobenzyl)oxy)phenyl)boronic acid; [4-[(4-fluorophenyl)methoxy]phenyl]boronic acid; {4-[(4-Fluorophenyl)methoxy]phenyl}boronic acid; 4-((4-fluorobenzyl)oxy)phenylboronic acid; DB-076843; (4-((4-Fluorobenzyl)oxy)phenyl)boronicacid; 4-(4'-Fluorobenzyloxy)phenylboronic acid, >=95%; A900037

IUPAC Name

[4-[(4-fluorophenyl)methoxy]phenyl]boronic acid

Canonical SMILES

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

InChI

InChI=1S/C13H12BFO3/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)17/h1-8,16-17H,9H2

InChI Key

HNQLLMVLGZJPJT-UHFFFAOYSA-N

Melting Point

165-170 °C

Purity

≥95%

Appearance

White to tan powder or crystals

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

246.0863526 g/mol

Monoisotopic Mass

246.0863526 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

236

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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4-(4'-FLUOROBENZYLOXY)PHENYLBORONIC ACID

Product Information

Computed Properties

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