ChemSpider 2D Image | 2-Oxo-2-[(2,4,6-triiodophenyl)amino]ethyl cyclohexanecarboxylate | C15H16I3NO3

2-Oxo-2-[(2,4,6-triiodophenyl)amino]ethyl cyclohexanecarboxylate

  • Molecular FormulaC15H16I3NO3
  • Average mass639.006 Da
  • Monoisotopic mass638.826416 Da
  • ChemSpider ID3329433

More details:

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

2-Oxo-2-[(2,4,6-triiodophenyl)amino]ethyl cyclohexanecarboxylate [ACD/IUPAC Name]
2-Oxo-2-[(2,4,6-triiodphenyl)amino]ethyl-cyclohexancarboxylat [German] [ACD/IUPAC Name]
Cyclohexanecarboxylate de 2-oxo-2-[(2,4,6-triiodophényl)amino]éthyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-oxo-2-[(2,4,6-triiodophenyl)amino]ethyl ester [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 607.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 321.0±31.5 °C
Index of Refraction: 1.700
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1933.95
ACD/KOC (pH 5.5): 7834.90
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1931.86
ACD/KOC (pH 7.4): 7826.40
Polar Surface Area: 55 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 287.8±3.0 cm3

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