ChemSpider 2D Image | 4-(2-Cyclopropyl-2-oxoethoxy)-3-iodo-5-nitrobenzonitrile | C12H9IN2O4

4-(2-Cyclopropyl-2-oxoethoxy)-3-iodo-5-nitrobenzonitrile

  • Molecular FormulaC12H9IN2O4
  • Average mass372.115 Da
  • Monoisotopic mass371.960693 Da
  • ChemSpider ID44546968

More details:

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

4-(2-Cyclopropyl-2-oxoethoxy)-3-iod-5-nitrobenzonitril [German] [ACD/IUPAC Name]
4-(2-Cyclopropyl-2-oxoethoxy)-3-iodo-5-nitrobenzonitrile [ACD/IUPAC Name]
4-(2-Cyclopropyl-2-oxoéthoxy)-3-iodo-5-nitrobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(2-cyclopropyl-2-oxoethoxy)-3-iodo-5-nitro- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 487.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.5±28.7 °C
Index of Refraction: 1.660
Molar Refractivity: 73.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.16
ACD/KOC (pH 5.5): 350.12
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.16
ACD/KOC (pH 7.4): 350.12
Polar Surface Area: 96 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 198.3±5.0 cm3

Click to predict properties on the Chemicalize site


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