ChemSpider 2D Image | 3-Acetamido-2,4,6-triiodo-5-(propionylamino)benzoic acid | C12H11I3N2O4

3-Acetamido-2,4,6-triiodo-5-(propionylamino)benzoic acid

  • Molecular FormulaC12H11I3N2O4
  • Average mass627.940 Da
  • Monoisotopic mass627.785278 Da
  • ChemSpider ID27651

More details:

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

3-Acetamido-2,4,6-triiod-5-(propionylamino)benzoesäure [German] [ACD/IUPAC Name]
3-Acetamido-2,4,6-triiodo-5-(propionylamino)benzoic acid [ACD/IUPAC Name]
Acide 3-acétamido-2,4,6-triiodo-5-(propionylamino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[(1-oxopropyl)amino]- [ACD/Index Name]
19719-02-9 [RN]
3-Acetamido-5-propionamido-2,4,6-triiodobenzoic acid
Benzoic acid, 3-acetamido-5-propionamido-2,4,6-triiodo-

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

BRN 3006731 [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 618.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 327.7±31.5 °C
Index of Refraction: 1.778
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 77.2±3.0 dyne/cm
Molar Volume: 250.9±3.0 cm3

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