ChemSpider 2D Image | 1-{[1,3-Bis(2-methyl-4-nitro-1H-imidazol-1-yl)-2-propanyl]oxy}ethenol | C13H16N6O6

1-{[1,3-Bis(2-methyl-4-nitro-1H-imidazol-1-yl)-2-propanyl]oxy}ethenol

  • Molecular FormulaC13H16N6O6
  • Average mass352.303 Da
  • Monoisotopic mass352.113129 Da
  • ChemSpider ID95620622

More details:

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

1-{[1,3-Bis(2-methyl-4-nitro-1H-imidazol-1-yl)-2-propanyl]oxy}ethenol [German] [ACD/IUPAC Name]
1-{[1,3-Bis(2-methyl-4-nitro-1H-imidazol-1-yl)-2-propanyl]oxy}ethenol [ACD/IUPAC Name]
1-{[1,3-Bis(2-méthyl-4-nitro-1H-imidazol-1-yl)-2-propanyl]oxy}éthénol [French] [ACD/IUPAC Name]
Ethenol, 1-[2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-[(2-methyl-4-nitro-1H-imidazol-1-yl)methyl]ethoxy]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 670.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 359.5±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 84.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 52.37
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 51.74
Polar Surface Area: 157 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 65.4±7.0 dyne/cm
Molar Volume: 227.7±7.0 cm3

Click to predict properties on the Chemicalize site


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