ChemSpider 2D Image | (1S,2S,4S)-2-bromo-N-(4-iodophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide | C17H19BrINO2

(1S,2S,4S)-2-bromo-N-(4-iodophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

  • Molecular FormulaC17H19BrINO2
  • Average mass476.147 Da
  • Monoisotopic mass474.964355 Da
  • ChemSpider ID73994040

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,4S)-2-Brom-N-(4-iodphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-1-carboxamid [German] [ACD/IUPAC Name]
(1S,2S,4S)-2-bromo-N-(4-iodophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide [ACD/IUPAC Name]
(1S,2S,4S)-2-Bromo-N-(4-iodophényl)-4,7,7-triméthyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-1-carboxamide, 2-bromo-N-(4-iodophenyl)-4,7,7-trimethyl-3-oxo-, (1S,2S,4S)- [ACD/Index Name]
484048-64-8 [RN]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 527.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.1±3.0 kJ/mol
    Flash Point: 272.5±30.1 °C
    Index of Refraction: 1.669
    Molar Refractivity: 98.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.59
    ACD/LogD (pH 5.5): 3.89
    ACD/BCF (pH 5.5): 529.09
    ACD/KOC (pH 5.5): 3098.16
    ACD/LogD (pH 7.4): 3.89
    ACD/BCF (pH 7.4): 529.09
    ACD/KOC (pH 7.4): 3098.16
    Polar Surface Area: 46 Å2
    Polarizability: 39.1±0.5 10-24cm3
    Surface Tension: 60.3±3.0 dyne/cm
    Molar Volume: 264.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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