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

6-{[(2-Hydroxy-5-propylphenyl)amino]methylene}-2,4-diiodo-2,4-cyclohexadien-1-one

  • Molecular FormulaC16H15I2NO2
  • Average mass507.105 Da
  • Monoisotopic mass506.919189 Da
  • ChemSpider ID5252788

More details:






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

2,4-Cyclohexadien-1-one, 6-[[(2-hydroxy-5-propylphenyl)amino]methylene]-2,4-diiodo- [ACD/Index Name]
6-{[(2-Hydroxy-5-propylphenyl)amino]methylen}-2,4-diiod-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
6-{[(2-Hydroxy-5-propylphenyl)amino]methylene}-2,4-diiodo-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
6-{[(2-Hydroxy-5-propylphényl)amino]méthylène}-2,4-diiodo-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
5533-75-5 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 439.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 219.5±28.7 °C
Index of Refraction: 1.721
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1041.85
ACD/KOC (pH 5.5): 5032.00
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1038.42
ACD/KOC (pH 7.4): 5015.41
Polar Surface Area: 49 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 255.9±5.0 cm3

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