ChemSpider 2D Image | N-(2-Chloro-5-nitrobenzyl)-1-(4-chlorophenyl)-N,5-dimethyl-1H-1,2,4-triazole-3-carboxamide | C18H15Cl2N5O3

N-(2-Chloro-5-nitrobenzyl)-1-(4-chlorophenyl)-N,5-dimethyl-1H-1,2,4-triazole-3-carboxamide

  • Molecular FormulaC18H15Cl2N5O3
  • Average mass420.249 Da
  • Monoisotopic mass419.055206 Da
  • ChemSpider ID21708474

More details:

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

1H-1,2,4-Triazole-3-carboxamide, N-[(2-chloro-5-nitrophenyl)methyl]-1-(4-chlorophenyl)-N,5-dimethyl- [ACD/Index Name]
N-(2-Chlor-5-nitrobenzyl)-1-(4-chlorphenyl)-N,5-dimethyl-1H-1,2,4-triazol-3-carboxamid [German] [ACD/IUPAC Name]
N-(2-Chloro-5-nitrobenzyl)-1-(4-chlorophenyl)-N,5-dimethyl-1H-1,2,4-triazole-3-carboxamide [ACD/IUPAC Name]
N-(2-Chloro-5-nitrobenzyl)-1-(4-chlorophényl)-N,5-diméthyl-1H-1,2,4-triazole-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 618.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 327.6±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 107.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 580.57
ACD/KOC (pH 5.5): 3311.04
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 580.58
ACD/KOC (pH 7.4): 3311.11
Polar Surface Area: 97 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 287.2±7.0 cm3

Click to predict properties on the Chemicalize site


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