2-((2-CHLORO-5-(TRIFLUOROMETHYL)PHENOXY&

Inquiry

Molecular Formula:

C14H11BClF3O3

Molecular Weight:

330.496

CAS Number:

849062-11-9

Catalog Number:

849062-11-9

Product Information

Molecular Formula:

C14H11BClF3O3

Molecular Weight:

330.496

Description

2-((2-Chloro-5-(trifluoromethyl)phenoxy)methyl)-4-(methylsulfonyl)benzoic Acid is a biochemical agent. It's primarily used in research as an active metabolite of Fenofibrate, a medication effective in reducing harmful cholesterol and fatty acid levels in the body.

Synonyms

(2-((2-Chloro-5-(trifluoromethyl)phenoxy)methyl)phenyl)boronic acid; 2-((2'-Chloro-5'-(trifluoromethyl)phenoxy)methyl)phenylboronic acid; [2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid; (2-((2-Chloro-5-(trifluoromethyl)phenoxy)-methyl)phenyl)boronic acid; 2-((2-CHLORO-5-(TRIFLUOROMETHYL)PHENOXY&; (2-{[2-Chloro-5-(trifluoromethyl)phenoxy]methyl}phenyl)boronic acid; (2-((2-Chloro-5-(trifluoromethyl)phenoxy)methyl)phenyl)boronicacid; 2-((2'-Chloro-5'-(trifluoromethyl)phenoxy)methyl)phenylboronic acid, >=95%

IUPAC Name

[2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid

Canonical SMILES

B(C1=CC=CC=C1COC2=C(C=CC(=C2)C(F)(F)F)Cl)(O)O

InChI

InChI=1S/C14H11BClF3O3/c16-12-6-5-10(14(17,18)19)7-13(12)22-8-9-3-1-2-4-11(9)15(20)21/h1-7,20-21H,8H2

InChI Key

DNZSKCIEUYUZRA-UHFFFAOYSA-N

Melting Point

138-147 °C (lit.)

Purity

95%

Appearance

White to off-white powder or crystals

Safety Information

Hazards

H413

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

330.0441866 g/mol

Monoisotopic Mass

330.0441866 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

357

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

Patents

Publication Number	Title	Priority Date
US-2012149693-A1	Therapeutic compounds	2009-05-05
US-2015315127-A1	Therapeutic compounds	2009-05-05
US-9024071-B2	Therapeutic compounds	2009-05-05

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)