ChemSpider 2D Image | 3,3',5,5'-Tetraiodothyroformic acid | C13H6I4O4

3,3',5,5'-Tetraiodothyroformic acid

  • Molecular FormulaC13H6I4O4
  • Average mass733.802 Da
  • Monoisotopic mass733.644470 Da
  • ChemSpider ID4953823

More details:

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

2055-97-2 [RN]
3,3',5,5'-Tetraiodothyroformic acid
4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzoic acid [ACD/IUPAC Name]
4-(4-Hydroxy-3,5-diiodphenoxy)-3,5-diiodbenzoesäure [German] [ACD/IUPAC Name]
Acide 4-(4-hydroxy-3,5-diiodophénoxy)-3,5-diiodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo- [ACD/Index Name]
3,5-DIIODO-4'-(4-HYDROXYPHENOXY)BENZOIC ACID
4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-benzoi
4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-benzoic acid
4-(4-Hydroxy-3,5-diiodophenoxy)-3',5'-diiodobenzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

069P3V0KG2 [DBID]
UNII:069P3V0KG2 [DBID]
UNII-069P3V0KG2 [DBID]

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

    Density: 2.8±0.1 g/cm3
    Boiling Point: 525.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.2±3.0 kJ/mol
    Flash Point: 271.5±30.1 °C
    Index of Refraction: 1.823
    Molar Refractivity: 113.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: 6.39
    ACD/LogD (pH 5.5): 3.95
    ACD/BCF (pH 5.5): 192.37
    ACD/KOC (pH 5.5): 395.21
    ACD/LogD (pH 7.4): 2.43
    ACD/BCF (pH 7.4): 5.84
    ACD/KOC (pH 7.4): 11.99
    Polar Surface Area: 67 Å2
    Polarizability: 44.8±0.5 10-24cm3
    Surface Tension: 81.1±3.0 dyne/cm
    Molar Volume: 259.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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