4-(3'-Fluorobenzyloxy)phenylboronic acid

Inquiry

Molecular Formula:

C13H12BFO3

Molecular Weight:

246.0

CAS Number:

1072951-98-4

Catalog Number:

1072951-98-4

Product Information

Molecular Formula:

C13H12BFO3

Molecular Weight:

246.0

Description

4-(3'-Fluorobenzyloxy)phenylboronic acid is a crucial compound in biomedicine used in the development of novel drugs and therapies. This product plays a vital role in the treatment of certain diseases, serving as a crucial building block for the synthesis of pharmaceutical agents targeting specific receptors or pathways.

Synonyms

[4-[(3-fluorophenyl)methoxy]phenyl]boronicacid; 4-(3'-Fluorobenzyloxy)phenylboronicacid; 1072951-98-4; (4-((3-Fluorobenzyl)oxy)phenyl)boronicacid; 4-(3-Fluorobenzyloxy)phenylboronicacid; 661864_ALDRICH

IUPAC Name

[4-[(3-fluorophenyl)methoxy]phenyl]boronic acid

Canonical SMILES

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

InChI

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

InChI Key

HLPBNLKHBWJWNP-UHFFFAOYSA-N

Melting Point

159-164 °C

Purity

98%

Appearance

White to tan solid

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

244

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-(3'-Fluorobenzyloxy)phenylboronic acid

Product Information

Computed Properties

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