3-(3'-Fluorobenzyloxy)phenylboronic acid

Inquiry

Molecular Formula:

C13H12BFO3

Molecular Weight:

246.0

CAS Number:

1072951-62-2

Catalog Number:

1072951-62-2

Product Information

Molecular Formula:

C13H12BFO3

Molecular Weight:

246.0

Description

3-(3'-fluorobenzyloxy)phenylboronic acid is an intercalating agent with selective enzymatic inhibition in disease pathways. Serving as a potent boronic acid derivative, it selectively hampers the activity of highly specific enzymes intricately woven within disease pathways. This exquisitely targeted inhibition orchestrates meticulous control over disease progression and alleviates symptoms.

Synonyms

[3-[(3-fluorophenyl)methoxy]phenyl]boronicacid; 3-(3'-Fluorobenzyloxy)phenylboronicacid; 1072951-62-2; (3-((3-Fluorobenzyl)oxy)phenyl)boronicacid; 3-(3-Fluorobenzyloxy)phenylboronicacid; 661872_ALDRICH

IUPAC Name

[3-[(3-fluorophenyl)methoxy]phenyl]boronic acid

Canonical SMILES

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

InChI

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

InChI Key

OGVHSTHPCKWLSC-UHFFFAOYSA-N

Melting Point

109-113 °C

Purity

95%

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

252

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-(3'-Fluorobenzyloxy)phenylboronic acid

Product Information

Computed Properties

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