ChemSpider 2D Image | 1-(4-Chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1-propanone | C11H10ClN3O

1-(4-Chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1-propanone

  • Molecular FormulaC11H10ClN3O
  • Average mass235.670 Da
  • Monoisotopic mass235.051239 Da
  • ChemSpider ID24733447

More details:

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

1-(4-Chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1-propanone [ACD/IUPAC Name]
1-(4-Chlorophényl)-3-(1H-1,2,4-triazol-1-yl)-1-propanone [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-3-(1H-1,2,4-triazol-1-yl)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
1-(4-Chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one
81234-31-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 441.7±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 221.0±30.4 °C
Index of Refraction: 1.627
Molar Refractivity: 63.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.95
ACD/KOC (pH 5.5): 205.33
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.97
ACD/KOC (pH 7.4): 205.79
Polar Surface Area: 48 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 179.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement