ChemSpider 2D Image | 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzonitrile | C9H5N5O2

3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzonitrile

  • Molecular FormulaC9H5N5O2
  • Average mass215.168 Da
  • Monoisotopic mass215.044327 Da
  • ChemSpider ID43586592

More details:

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

3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzonitril [German] [ACD/IUPAC Name]
3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzonitrile [ACD/IUPAC Name]
3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-nitro-4-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
19005-66-4 [RN]
MFCD19011714

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

Density: 1.5±0.1 g/cm3
Boiling Point: 439.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.6±31.5 °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: 0.28
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 57.14
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.00
ACD/KOC (pH 7.4): 57.14
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


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