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Product Overview

Product Code

TRC-B687647

Product Format

Neat

Molecular Formula

C12 D3 H3 Br Cl F4 N2 O2

Molecular Weight

404.557

Product Categories

TRC, Stable isotopes

Unlabelled CAS Number

174514-08-0

Product Information

Chemical Data

Analyte Name

5-[4-Bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoic Acid-d3

Molecular Formula

C12 D3 H3 Br Cl F4 N2 O2

Molecular Weight

404.557

Accurate Mass

402.943

SMILES

[2H]C([2H])([2H])n1nc(c(Br)c1C(F)(F)F)c2cc(C(=O)O)c(Cl)cc2F

InChI

InChI=1S/C12H6BrClF4N2O2/c1-20-10(12(16,17)18)8(13)9(19-20)5-2-4(11(21)22)6(14)3-7(5)15/h2-3H,1H3,(H,21,22)/i1D3

IUPAC

5-[4-bromo-1-(trideuteriomethyl)-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoic acid

Unlabelled CAS Number

174514-08-0

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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