ChemSpider 2D Image | 3,5-Diamino-2,4,6-triiodobenzoic Acid | C7H5I3N2O2

3,5-Diamino-2,4,6-triiodobenzoic Acid

  • Molecular FormulaC7H5I3N2O2
  • Average mass529.840 Da
  • Monoisotopic mass529.748474 Da
  • ChemSpider ID20376

More details:






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

226-845-7 [EINECS]
3,5-Diamino-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3,5-Diamino-2,4,6-triiodobenzoic Acid [ACD/IUPAC Name]
5505-16-8 [RN]
Acide 3,5-diamino-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-diamino-2,4,6-triiodo- [ACD/Index Name]
3,5-Diamino-2,4,6-triiodobenzoate [ACD/IUPAC Name]
3,5-diamino-2,4,6-triiodobenzoicacid
3,5-Diamino-triiodobenzoic acid
67032-28-4 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 1466919 [DBID]

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

    Density: 3.1±0.1 g/cm3
    Boiling Point: 503.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.4±3.0 kJ/mol
    Flash Point: 258.6±30.1 °C
    Index of Refraction: 1.900
    Molar Refractivity: 80.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 5
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 2
    ACD/LogP: 2.06
    ACD/LogD (pH 5.5): -0.39
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 31.9±0.5 10-24cm3
    Surface Tension: 101.2±3.0 dyne/cm
    Molar Volume: 172.7±3.0 cm3

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