ChemSpider 2D Image | 2-Acetyl-4-[(Z)-(4-chlorobenzylidene)amino]-5-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one | C13H13ClN4O2

2-Acetyl-4-[(Z)-(4-chlorobenzylidene)amino]-5-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC13H13ClN4O2
  • Average mass292.721 Da
  • Monoisotopic mass292.072693 Da
  • ChemSpider ID30652368

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Acetyl-4-[(Z)-(4-chlorbenzyliden)amino]-5-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
2-Acetyl-4-[(Z)-(4-chlorobenzylidene)amino]-5-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
2-Acétyl-4-[(Z)-(4-chlorobenzylidène)amino]-5-éthyl-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
3H-1,2,4-Triazol-3-one, 2-acetyl-4-[[(1Z)-(4-chlorophenyl)methylene]amino]-5-ethyl-2,4-dihydro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 393.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 191.8±28.4 °C
Index of Refraction: 1.627
Molar Refractivity: 77.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.28
ACD/KOC (pH 5.5): 184.57
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.28
ACD/KOC (pH 7.4): 184.57
Polar Surface Area: 65 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 218.1±7.0 cm3

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