ChemSpider 2D Image | 5-(~15~N)Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl](~13~C_3_)-1H-pyrazole-3-(~13~C,~15~N)carbonitrile | C813C4H4Cl2F6N215N2OS

5-(15N)Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl](13C3)-1H-pyrazole-3-(13C,15N)carbonitrile

  • Molecular FormulaC813C4H4Cl2F6N215N2OS
  • Average mass443.105 Da
  • Monoisotopic mass441.946198 Da
  • ChemSpider ID95594728

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrazole-3,4,5-13C3-3-carbonitrile-13C-15N, 5-(amino-15N)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]- [ACD/Index Name]
5-(15N)Amino-1-[2,6-dichlor-4-(trifluormethyl)phenyl]-4-[(trifluormethyl)sulfinyl](13C3)-1H-pyrazol-3-(13C,15N)carbonitril [German] [ACD/IUPAC Name]
5-(15N)Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl](13C3)-1H-pyrazole-3-(13C,15N)carbonitrile [ACD/IUPAC Name]
5-(15N)Amino-1-[2,6-dichloro-4-(trifluorométhyl)phényl]-4-[(trifluorométhyl)sulfinyl](13C3)-1H-pyrazole-3-(13C,15N)carbonitrile [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 233.7±7.0 cm3

Click to predict properties on the Chemicalize site


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