ChemSpider 2D Image | N'-{(Z)-[4-(Methylsulfonyl)-2-(trifluoromethyl)phenyl]methylene}-3-(3-nitro-1H-1,2,4-triazol-1-yl)propanehydrazide | C14H13F3N6O5S

N'-{(Z)-[4-(Methylsulfonyl)-2-(trifluoromethyl)phenyl]methylene}-3-(3-nitro-1H-1,2,4-triazol-1-yl)propanehydrazide

  • Molecular FormulaC14H13F3N6O5S
  • Average mass434.350 Da
  • Monoisotopic mass434.062012 Da
  • ChemSpider ID101350393

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-1,2,4-Triazole-1-propanoic acid, 3-nitro-, 2-[(1Z)-[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methylene]hydrazide [ACD/Index Name]
N'-{(Z)-[4-(Methylsulfonyl)-2-(trifluormethyl)phenyl]methylen}-3-(3-nitro-1H-1,2,4-triazol-1-yl)propanhydrazid [German] [ACD/IUPAC Name]
N'-{(Z)-[4-(Methylsulfonyl)-2-(trifluoromethyl)phenyl]methylene}-3-(3-nitro-1H-1,2,4-triazol-1-yl)propanehydrazide [ACD/IUPAC Name]
N'-{(Z)-[4-(Méthylsulfonyl)-2-(trifluorométhyl)phényl]méthylène}-3-(3-nitro-1H-1,2,4-triazol-1-yl)propanehydrazide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 94.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.51
ACD/KOC (pH 5.5): 67.23
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.51
ACD/KOC (pH 7.4): 67.23
Polar Surface Area: 161 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 266.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement