ChemSpider 2D Image | 1-[(2Z)-2-Methyl-3-nitro-2-propen-1-yl]-3,5-dinitro-1H-1,2,4-triazole | C6H6N6O6

1-[(2Z)-2-Methyl-3-nitro-2-propen-1-yl]-3,5-dinitro-1H-1,2,4-triazole

  • Molecular FormulaC6H6N6O6
  • Average mass258.148 Da
  • Monoisotopic mass258.034882 Da
  • ChemSpider ID57465566

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(2Z)-2-Methyl-3-nitro-2-propen-1-yl]-3,5-dinitro-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-[(2Z)-2-Methyl-3-nitro-2-propen-1-yl]-3,5-dinitro-1H-1,2,4-triazole [ACD/IUPAC Name]
1-[(2Z)-2-Méthyl-3-nitro-2-propén-1-yl]-3,5-dinitro-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-[(2Z)-2-methyl-3-nitro-2-propen-1-yl]-3,5-dinitro- [ACD/Index Name]
1H-1,2,4-TRIAZOLE, 1-(2-METHYL-3-NITRO-2-PROPENYL)-3,5-DINITRO-

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

Density: 1.9±0.1 g/cm3
Boiling Point: 608.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 322.0±34.3 °C
Index of Refraction: 1.732
Molar Refractivity: 54.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.86
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.86
Polar Surface Area: 168 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 102.8±7.0 dyne/cm
Molar Volume: 136.2±7.0 cm3

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