ChemSpider 2D Image | 1-(1,3,5-Trinitro-1H-pyrrol-2-yl)ethenol | C6H4N4O7

1-(1,3,5-Trinitro-1H-pyrrol-2-yl)ethenol

  • Molecular FormulaC6H4N4O7
  • Average mass244.119 Da
  • Monoisotopic mass244.007996 Da
  • ChemSpider ID95672763

More details:






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

1-(1,3,5-Trinitro-1H-pyrrol-2-yl)ethenol [German] [ACD/IUPAC Name]
1-(1,3,5-Trinitro-1H-pyrrol-2-yl)ethenol [ACD/IUPAC Name]
1-(1,3,5-Trinitro-1H-pyrrol-2-yl)éthénol [French] [ACD/IUPAC Name]
1H-Pyrrole-2-methanol, α-methylene-1,3,5-trinitro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 556.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.4±32.9 °C
Index of Refraction: 1.725
Molar Refractivity: 49.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 57.55
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.99
ACD/KOC (pH 7.4): 56.78
Polar Surface Area: 163 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 107.9±7.0 dyne/cm
Molar Volume: 124.1±7.0 cm3

Click to predict properties on the Chemicalize site






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