ChemSpider 2D Image | 6-{(E)-[(2-Hydroxy-5-propylphenyl)imino]methyl}-2,4-diiodo-2,4-cyclohexadien-1-one | C16H15I2NO2

6-{(E)-[(2-Hydroxy-5-propylphenyl)imino]methyl}-2,4-diiodo-2,4-cyclohexadien-1-one

  • Molecular FormulaC16H15I2NO2
  • Average mass507.105 Da
  • Monoisotopic mass506.919189 Da
  • ChemSpider ID95618894
  • Double-bond stereo - Double-bond stereo


More details:






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

2,4-Cyclohexadien-1-one, 6-[(E)-[(2-hydroxy-5-propylphenyl)imino]methyl]-2,4-diiodo- [ACD/Index Name]
6-{(E)-[(2-Hydroxy-5-propylphenyl)imino]methyl}-2,4-diiod-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
6-{(E)-[(2-Hydroxy-5-propylphenyl)imino]methyl}-2,4-diiodo-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
6-{(E)-[(2-Hydroxy-5-propylphényl)imino]méthyl}-2,4-diiodo-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 542.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 281.8±30.1 °C
Index of Refraction: 1.682
Molar Refractivity: 101.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1709.07
ACD/KOC (pH 5.5): 7171.21
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1695.41
ACD/KOC (pH 7.4): 7113.87
Polar Surface Area: 50 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 266.8±7.0 cm3

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