ChemSpider 2D Image | 1-(2-Nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile | C9H5N5O2

1-(2-Nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile

  • Molecular FormulaC9H5N5O2
  • Average mass215.168 Da
  • Monoisotopic mass215.044327 Da
  • ChemSpider ID35221751

More details:

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

1-(2-Nitrophenyl)-1H-1,2,4-triazol-3-carbonitril [German] [ACD/IUPAC Name]
1-(2-Nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile [ACD/IUPAC Name]
1-(2-Nitrophényl)-1H-1,2,4-triazole-3-carbonitrile [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carbonitrile, 1-(2-nitrophenyl)- [ACD/Index Name]
1-(2-nitrophenyl)-1,2,4-triazole-3-carbonitrile
1-(2-Nitro-phenyl)-1H-[1,2,4]triazole-3-carbonitrile
1250607-76-1 [RN]
MFCD17241747

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

Density: 1.5±0.1 g/cm3
Boiling Point: 452.1±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.2±29.3 °C
Index of Refraction: 1.722
Molar Refractivity: 56.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.62
ACD/KOC (pH 5.5): 69.31
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 69.31
Polar Surface Area: 100 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 73.6±7.0 dyne/cm
Molar Volume: 142.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement