ChemSpider 2D Image | 3-Amino-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid | C9H7I3N2O3

3-Amino-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid

  • Molecular FormulaC9H7I3N2O3
  • Average mass571.877 Da
  • Monoisotopic mass571.759033 Da
  • ChemSpider ID67833

More details:

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

1480165 [Beilstein]
218-917-1 [EINECS]
2280-89-9 [RN]
3-Amino-2,4,6-triiod-5-(methylcarbamoyl)benzoesäure [German] [ACD/IUPAC Name]
3-Amino-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid [ACD/IUPAC Name]
3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
5-Amino-2,4,6-triiodo-N-methylisophthalamic acid
5-Amino-3-carboxy-2,4,6-triiodo-N-methylbenzamide
Acide 3-amino-2,4,6-triiodo-5-(méthylcarbamoyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-amino-2,4,6-triiodo-5-[(methylamino)carbonyl]- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A3PN1N22K1 [DBID]
UNII:A3PN1N22K1 [DBID]

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

    Density: 2.7±0.1 g/cm3
    Boiling Point: 454.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.2±3.0 kJ/mol
    Flash Point: 228.4±28.7 °C
    Index of Refraction: 1.796
    Molar Refractivity: 89.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 0.65
    ACD/LogD (pH 5.5): -0.99
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 35.6±0.5 10-24cm3
    Surface Tension: 82.4±3.0 dyne/cm
    Molar Volume: 210.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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