ChemSpider 2D Image | 2-(3-Nitro-1H-1,2,4-triazol-1-yl)ethyl 3-furoate | C9H8N4O5

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

  • Molecular FormulaC9H8N4O5
  • Average mass252.184 Da
  • Monoisotopic mass252.049469 Da
  • ChemSpider ID30449879

More details:

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

2-(3-Nitro-1H-1,2,4-triazol-1-yl)ethyl 3-furoate [ACD/IUPAC Name]
2-(3-Nitro-1H-1,2,4-triazol-1-yl)ethyl-3-furoat [German] [ACD/IUPAC Name]
3-Furancarboxylic acid, 2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl ester [ACD/Index Name]
3-Furoate de 2-(3-nitro-1H-1,2,4-triazol-1-yl)éthyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 490.0±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 250.2±30.4 °C
Index of Refraction: 1.668
Molar Refractivity: 58.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.71
ACD/KOC (pH 5.5): 51.01
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 51.01
Polar Surface Area: 116 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 71.9±7.0 dyne/cm
Molar Volume: 156.4±7.0 cm3

Click to predict properties on the Chemicalize site


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