ChemSpider 2D Image | 2-Bromo-4-methoxy-1-(2-methyl-2-propanyl)-3,5-dinitrobenzene | C11H13BrN2O5

2-Bromo-4-methoxy-1-(2-methyl-2-propanyl)-3,5-dinitrobenzene

  • Molecular FormulaC11H13BrN2O5
  • Average mass333.135 Da
  • Monoisotopic mass332.000763 Da
  • ChemSpider ID28714812

More details:

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

2-Brom-4-methoxy-1-(2-methyl-2-propanyl)-3,5-dinitrobenzol [German] [ACD/IUPAC Name]
2-Bromo-4-methoxy-1-(2-methyl-2-propanyl)-3,5-dinitrobenzene [ACD/IUPAC Name]
2-Bromo-4-méthoxy-1-(2-méthyl-2-propanyl)-3,5-dinitrobenzène [French] [ACD/IUPAC Name]
Benzene, 2-bromo-1-(1,1-dimethylethyl)-4-methoxy-3,5-dinitro- [ACD/Index Name]
2-Bromo-1-tert-butyl-4-methoxy-3,5-dinitrobenzene
99758-54-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 353.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 167.5±27.9 °C
Index of Refraction: 1.569
Molar Refractivity: 72.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 311.48
ACD/KOC (pH 5.5): 2120.33
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 311.48
ACD/KOC (pH 7.4): 2120.33
Polar Surface Area: 101 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 220.0±3.0 cm3

Click to predict properties on the Chemicalize site


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