ChemSpider 2D Image | 2-Bromo-5-nitro-1H-indole-3-carbaldehyde | C9H5BrN2O3

2-Bromo-5-nitro-1H-indole-3-carbaldehyde

  • Molecular FormulaC9H5BrN2O3
  • Average mass269.052 Da
  • Monoisotopic mass267.948334 Da
  • ChemSpider ID25070120

More details:

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

1246471-79-3 [RN]
1H-Indole-3-carboxaldehyde, 2-bromo-5-nitro- [ACD/Index Name]
2-Brom-5-nitro-1H-indol-3-carbaldehyd [German] [ACD/IUPAC Name]
2-Bromo-5-nitro-1H-indole-3-carbaldehyde [ACD/IUPAC Name]
2-Bromo-5-nitro-1H-indole-3-carbaldéhyde [French] [ACD/IUPAC Name]
MFCD22570490

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 480.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.5±3.0 kJ/mol
    Flash Point: 244.4±27.3 °C
    Index of Refraction: 1.782
    Molar Refractivity: 59.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.18
    ACD/LogD (pH 5.5): 2.61
    ACD/BCF (pH 5.5): 56.57
    ACD/KOC (pH 5.5): 625.30
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 56.56
    ACD/KOC (pH 7.4): 625.29
    Polar Surface Area: 79 Å2
    Polarizability: 23.6±0.5 10-24cm3
    Surface Tension: 78.8±3.0 dyne/cm
    Molar Volume: 141.6±3.0 cm3

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