ChemSpider 2D Image | 3-Bromo-1H-indole-6-carbonitrile | C9H5BrN2

3-Bromo-1H-indole-6-carbonitrile

  • Molecular FormulaC9H5BrN2
  • Average mass221.053 Da
  • Monoisotopic mass219.963608 Da
  • ChemSpider ID35142510

More details:

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

1326714-80-0 [RN]
1H-Indole-6-carbonitrile, 3-bromo- [ACD/Index Name]
3-Brom-1H-indol-6-carbonitril [German] [ACD/IUPAC Name]
3-Bromo-1H-indole-6-carbonitrile [ACD/IUPAC Name]
3-Bromo-1H-indole-6-carbonitrile [French] [ACD/IUPAC Name]
3?BROMO?1H?INDOLE?6?CARBONITRILE
3-bromo-1h-indole-6-carbonitri
3‐bromo‐1h‐indole‐6‐carbonitrile
95%
MFCD22563272

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 405.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.8±3.0 kJ/mol
    Flash Point: 199.3±23.2 °C
    Index of Refraction: 1.727
    Molar Refractivity: 50.5±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.15
    ACD/LogD (pH 5.5): 3.04
    ACD/BCF (pH 5.5): 120.36
    ACD/KOC (pH 5.5): 1073.57
    ACD/LogD (pH 7.4): 3.04
    ACD/BCF (pH 7.4): 120.36
    ACD/KOC (pH 7.4): 1073.57
    Polar Surface Area: 40 Å2
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 72.3±5.0 dyne/cm
    Molar Volume: 127.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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