5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylic Acid-13C,d7

Analyte Name

5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylic Acid-13C,d7

Molecular Formula

13C C16 D7 H4 Cl3 N2 O2

Molecular Weight

389.676

Accurate Mass

388.036

SMILES

[2H]c1c([2H])c(c([2H])c([2H])c1Cl)c2c(c(nn2c3ccc(Cl)cc3Cl)C(=O)O)[13C]([2H])([2H])[2H]

InChI

InChI=1S/C17H11Cl3N2O2/c1-9-15(17(23)24)21-22(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,23,24)/i1+1D3,2D,3D,4D,5D

IUPAC

5-(4-chloro-2,3,5,6-tetradeuteriophenyl)-1-(2,4-dichlorophenyl)-4-(trideuterio(113C)methyl)pyrazole-3-carboxylic acid

Unlabelled CAS Number

162758-35-2

SIL Type

Deuterium, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat