3-(3'-(TRIFLUOROMETHYL)PHENOXYMETHYL)PH&

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Molecular Formula:

C14H12BF3O3

Molecular Weight:

296.051

CAS Number:

870778-98-6

Catalog Number:

870778-98-6

Product Information

Molecular Formula:

C14H12BF3O3

Molecular Weight:

296.051

Description

3-(3'-(Trifluoromethyl)phenoxy)methyl)phenol is an indispensable compound for the biomedical sector. It is a bioactive compound that exhibits formidable potential as an active agent in the creation of pharmaceuticals addressing an array of ailments, such as cancer, inflammation, and cardiovascular disorders. Its remarkable affinity towards specific receptors highlights its significance in therapeutic interventions.

Synonyms

3-(3'-(Trifluoromethyl)phenoxymethyl)phenylboronic

IUPAC Name

[3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid

Canonical SMILES

B(C1=CC(=CC=C1)COC2=CC=CC(=C2)C(F)(F)F)(O)O

InChI

InChI=1S/C14H12BF3O3/c16-14(17,18)11-4-2-6-13(8-11)21-9-10-3-1-5-12(7-10)15(19)20/h1-8,19-20H,9H2

InChI Key

TVFNNGHGIHZSDV-UHFFFAOYSA-N

Boiling Point

428°C at 760 mmHg

Melting Point

90-133°C

Purity

97%

Density

1.33g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

296.0831589 g/mol

Monoisotopic Mass

296.0831589 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

325

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'-(TRIFLUOROMETHYL)PHENOXYMETHYL)PH&

Product Information

Computed Properties

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