ChemSpider 2D Image | 3,4-DIHYDROXY-9,10-DIOXO-N-[4-(TRIFLUOROMETHYL)PHENYL]ANTHRACENE-2-SULFONAMIDE | C21H12F3NO6S

3,4-DIHYDROXY-9,10-DIOXO-N-[4-(TRIFLUOROMETHYL)PHENYL]ANTHRACENE-2-SULFONAMIDE

  • Molecular FormulaC21H12F3NO6S
  • Average mass463.383 Da
  • Monoisotopic mass463.033752 Da
  • ChemSpider ID26232081

More details:

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

1313738-90-7 [RN]
2-Anthracenesulfonamide, 9,10-dihydro-3,4-dihydroxy-9,10-dioxo-N-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
3,4-Dihydroxy-9,10-dioxo-N-[4-(trifluormethyl)phenyl]-9,10-dihydro-2-anthracensulfonamid [German] [ACD/IUPAC Name]
3,4-Dihydroxy-9,10-dioxo-N-[4-(trifluoromethyl)phenyl]-9,10-dihydro-2-anthracenesulfonamide [ACD/IUPAC Name]
3,4-Dihydroxy-9,10-dioxo-N-[4-(trifluorométhyl)phényl]-9,10-dihydro-2-anthracènesulfonamide [French] [ACD/IUPAC Name]
3,4-Dihydroxy-9,10-dioxo-N-[4-(trifluoromethyl)phenyl]-9,10-dihydroanthracene-2-sulfonamide
3,4-DIHYDROXY-9,10-DIOXO-N-[4-(TRIFLUOROMETHYL)PHENYL]ANTHRACENE-2-SULFONAMIDE
131373-89-2 [RN]
3,4-Dihydroxy-9,10-dioxo-N-(4-(trifluoromethyl)phenyl)-9,10-dihydroanthracene-2-sulfonamide
3,4-Dihydroxy-9,10-dioxo-N-(4-(trifluoromethyl)-phenyl)-9,10-dihydroanthracene-2-sulfonamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 627.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.2±3.0 kJ/mol
    Flash Point: 333.2±34.3 °C
    Index of Refraction: 1.671
    Molar Refractivity: 104.1±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 6.13
    ACD/LogD (pH 5.5): 3.94
    ACD/BCF (pH 5.5): 293.96
    ACD/KOC (pH 5.5): 905.71
    ACD/LogD (pH 7.4): 1.74
    ACD/BCF (pH 7.4): 1.87
    ACD/KOC (pH 7.4): 5.76
    Polar Surface Area: 129 Å2
    Polarizability: 41.3±0.5 10-24cm3
    Surface Tension: 70.5±3.0 dyne/cm
    Molar Volume: 278.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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