ChemSpider 2D Image | 3-Iodo-4-(3-methyl-2-oxobutoxy)-5-nitrobenzonitrile | C12H11IN2O4

3-Iodo-4-(3-methyl-2-oxobutoxy)-5-nitrobenzonitrile

  • Molecular FormulaC12H11IN2O4
  • Average mass374.131 Da
  • Monoisotopic mass373.976349 Da
  • ChemSpider ID52296790

More details:

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

3-Iod-4-(3-methyl-2-oxobutoxy)-5-nitrobenzonitril [German] [ACD/IUPAC Name]
3-Iodo-4-(3-methyl-2-oxobutoxy)-5-nitrobenzonitrile [ACD/IUPAC Name]
3-Iodo-4-(3-méthyl-2-oxobutoxy)-5-nitrobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-iodo-4-(3-methyl-2-oxobutoxy)-5-nitro- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 458.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.4±28.7 °C
Index of Refraction: 1.610
Molar Refractivity: 75.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.41
ACD/KOC (pH 5.5): 559.35
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.41
ACD/KOC (pH 7.4): 559.35
Polar Surface Area: 96 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 217.1±5.0 cm3

Click to predict properties on the Chemicalize site


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