ChemSpider 2D Image | 6-Nitro-5-oxo-5,6-dihydro-1,2,3-triazine-4-carbaldehyde | C4H2N4O4

6-Nitro-5-oxo-5,6-dihydro-1,2,3-triazine-4-carbaldehyde

  • Molecular FormulaC4H2N4O4
  • Average mass170.083 Da
  • Monoisotopic mass170.007599 Da
  • ChemSpider ID67493258

More details:

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

1,2,3-Triazine-4-carboxaldehyde, 5,6-dihydro-6-nitro-5-oxo- [ACD/Index Name]
6-Nitro-5-oxo-5,6-dihydro-1,2,3-triazin-4-carbaldehyd [German] [ACD/IUPAC Name]
6-Nitro-5-oxo-5,6-dihydro-1,2,3-triazine-4-carbaldehyde [ACD/IUPAC Name]
6-Nitro-5-oxo-5,6-dihydro-1,2,3-triazine-4-carbaldéhyde [French] [ACD/IUPAC Name]
nitrotriazalone

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

Density: 2.1±0.1 g/cm3
Boiling Point: 352.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 166.7±28.7 °C
Index of Refraction: 1.791
Molar Refractivity: 35.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -3.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 115.0±7.0 dyne/cm
Molar Volume: 82.5±7.0 cm3

Click to predict properties on the Chemicalize site


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