ChemSpider 2D Image | 1-[4-(4-Chloro-2-nitrophenyl)-1-piperazinyl]-3-(1H-1,2,4-triazol-1-yl)-1-propanone | C15H17ClN6O3

1-[4-(4-Chloro-2-nitrophenyl)-1-piperazinyl]-3-(1H-1,2,4-triazol-1-yl)-1-propanone

  • Molecular FormulaC15H17ClN6O3
  • Average mass364.787 Da
  • Monoisotopic mass364.105072 Da
  • ChemSpider ID30187475

More details:

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

1-[4-(4-Chlor-2-nitrophenyl)-1-piperazinyl]-3-(1H-1,2,4-triazol-1-yl)-1-propanon [German] [ACD/IUPAC Name]
1-[4-(4-Chloro-2-nitrophenyl)-1-piperazinyl]-3-(1H-1,2,4-triazol-1-yl)-1-propanone [ACD/IUPAC Name]
1-[4-(4-Chloro-2-nitrophényl)-1-pipérazinyl]-3-(1H-1,2,4-triazol-1-yl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-3-(1H-1,2,4-triazol-1-yl)- [ACD/Index 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: 627.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.5±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.69
ACD/KOC (pH 5.5): 149.81
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.72
ACD/KOC (pH 7.4): 150.30
Polar Surface Area: 100 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 66.2±7.0 dyne/cm
Molar Volume: 242.3±7.0 cm3

Click to predict properties on the Chemicalize site


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