ChemSpider 2D Image | 4,5,9,10-Tetrabromoisochromeno[6,5,4-def]isochromene-1,3,6,8-tetrone | C14Br4O6

4,5,9,10-Tetrabromoisochromeno[6,5,4-def]isochromene-1,3,6,8-tetrone

  • Molecular FormulaC14Br4O6
  • Average mass583.762 Da
  • Monoisotopic mass579.642822 Da
  • ChemSpider ID2345313

More details:

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

299962-88-2 [RN]
4,5,9,10-Tetrabromisochromeno[6,5,4-def]isochromen-1,3,6,8-tetron [German] [ACD/IUPAC Name]
4,5,9,10-Tetrabromoisochromeno[6,5,4-def]isochromene-1,3,6,8-tetraone
4,5,9,10-Tetrabromo-isochromeno[6,5,4-def]isochromene-1,3,6,8-tetraone
4,5,9,10-Tetrabromoisochromeno[6,5,4-def]isochromene-1,3,6,8-tetrone [ACD/IUPAC Name]
4,5,9,10-Tétrabromoisochroméno[6,5,4-def]isochromène-1,3,6,8-tétrone [French] [ACD/IUPAC Name]
Naphtho[1,8-cd:4,5-c'd']dipyran-1,3,6,8-tetrone, 4,5,9,10-tetrabromo- [ACD/Index Name]
AC1MJBDI
C14Br4O6

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

BAS 00025004 [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: 773.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 112.6±3.0 kJ/mol
    Flash Point: 421.7±32.9 °C
    Index of Refraction: 1.824
    Molar Refractivity: 93.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 1
    ACD/LogP: 2.88
    ACD/LogD (pH 5.5): 3.62
    ACD/BCF (pH 5.5): 329.73
    ACD/KOC (pH 5.5): 2208.55
    ACD/LogD (pH 7.4): 3.62
    ACD/BCF (pH 7.4): 329.73
    ACD/KOC (pH 7.4): 2208.55
    Polar Surface Area: 87 Å2
    Polarizability: 37.2±0.5 10-24cm3
    Surface Tension: 95.1±3.0 dyne/cm
    Molar Volume: 214.5±3.0 cm3

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