ChemSpider 2D Image | 3-(1H-Benzotriazol-1-yl)-1-(4-nitrophenyl)-1-propanone | C15H12N4O3

3-(1H-Benzotriazol-1-yl)-1-(4-nitrophenyl)-1-propanone

  • Molecular FormulaC15H12N4O3
  • Average mass296.281 Da
  • Monoisotopic mass296.090942 Da
  • ChemSpider ID21132312

More details:

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

1-Propanone, 3-(1H-1,2,3-benzotriazol-1-yl)-1-(4-nitrophenyl)- [ACD/Index Name]
3-(1H-Benzotriazol-1-yl)-1-(4-nitrophenyl)-1-propanon [German] [ACD/IUPAC Name]
3-(1H-Benzotriazol-1-yl)-1-(4-nitrophenyl)-1-propanone [ACD/IUPAC Name]
3-(1H-Benzotriazol-1-yl)-1-(4-nitrophényl)-1-propanone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 532.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.7±24.6 °C
Index of Refraction: 1.688
Molar Refractivity: 80.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.47
ACD/KOC (pH 5.5): 438.65
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.47
ACD/KOC (pH 7.4): 438.68
Polar Surface Area: 94 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 211.4±7.0 cm3

Click to predict properties on the Chemicalize site


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