ChemSpider 2D Image | 1-(5-Bromo-3-nitro-1,2,4-triazolidin-1-yl)-3,3-dimethyl-2-butanone | C8H15BrN4O3

1-(5-Bromo-3-nitro-1,2,4-triazolidin-1-yl)-3,3-dimethyl-2-butanone

  • Molecular FormulaC8H15BrN4O3
  • Average mass295.134 Da
  • Monoisotopic mass294.032745 Da
  • ChemSpider ID109656948

More details:

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

1-(5-Brom-3-nitro-1,2,4-triazolidin-1-yl)-3,3-dimethyl-2-butanon [German] [ACD/IUPAC Name]
1-(5-Bromo-3-nitro-1,2,4-triazolidin-1-yl)-3,3-dimethyl-2-butanone [ACD/IUPAC Name]
1-(5-Bromo-3-nitro-1,2,4-triazolidin-1-yl)-3,3-diméthyl-2-butanone [French] [ACD/IUPAC Name]
2-Butanone, 1-(5-bromo-3-nitro-1,2,4-triazolidin-1-yl)-3,3-dimethyl- [ACD/Index 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: 381.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 184.3±30.7 °C
Index of Refraction: 1.571
Molar Refractivity: 62.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 188.9±5.0 cm3

Click to predict properties on the Chemicalize site


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