ChemSpider 2D Image | 3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid | C12H11I3N2O4

3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid

  • Molecular FormulaC12H11I3N2O4
  • Average mass627.940 Da
  • Monoisotopic mass627.785278 Da
  • ChemSpider ID45152

More details:

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

3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3-Acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
Acide 3-acétamido-5-(éthylcarbamoyl)-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(acetylamino)-5-[(ethylamino)carbonyl]-2,4,6-triiodo- [ACD/Index Name]
2281-07-4 [RN]
3-(acetylamino)-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid

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

Density: 2.4±0.1 g/cm3
Boiling Point: 529.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 273.8±30.1 °C
Index of Refraction: 1.743
Molar Refractivity: 104.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 258.1±3.0 cm3

Click to predict properties on the Chemicalize site


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