ChemSpider 2D Image | 3,5-Bis[(~2~H_3_)ethanoylamino]-2,4,6-triiodobenzoic acid | C11H3D6I3N2O4

3,5-Bis[(2H3)ethanoylamino]-2,4,6-triiodobenzoic acid

  • Molecular FormulaC11H3D6I3N2O4
  • Average mass619.951 Da
  • Monoisotopic mass619.807251 Da
  • ChemSpider ID28565823

  • Non-standard isotope - Non-standard isotope

More details:

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

3,5-Bis[(2H3)ethanoylamino]-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3,5-Bis[(2H3)ethanoylamino]-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
Acide 3,5-bis[(2H3)éthanoylamino]-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,4,6-triiodo-3,5-bis[(1-oxoethyl-2,2,2-d3)amino]- [ACD/Index Name]
1189668-69-6 [RN]
2,4,6-triiodo-3,5-bis[(2,2,2-trideuterioacetyl)amino]benzoic acid
AMIDOTRIZOIC ACID-D6

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

    Density: 2.6±0.1 g/cm3
    Boiling Point: 614.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.8±3.0 kJ/mol
    Flash Point: 325.2±31.5 °C
    Index of Refraction: 1.803
    Molar Refractivity: 100.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 0.45
    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): -1.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 39.8±0.5 10-24cm3
    Surface Tension: 81.3±3.0 dyne/cm
    Molar Volume: 234.3±3.0 cm3

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