ChemSpider 2D Image | 4-Nitro-1H-indole-6-carbonitrile | C9H5N3O2

4-Nitro-1H-indole-6-carbonitrile

  • Molecular FormulaC9H5N3O2
  • Average mass187.155 Da
  • Monoisotopic mass187.038177 Da
  • ChemSpider ID26465373

More details:

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

1082041-51-7 [RN]
1H-Indole-6-carbonitrile, 4-nitro- [ACD/Index Name]
4-Nitro-1H-indol-6-carbonitril [German] [ACD/IUPAC Name]
4-Nitro-1H-indole-6-carbonitrile [ACD/IUPAC Name]
4-Nitro-1H-indole-6-carbonitrile [French] [ACD/IUPAC Name]
1h-indole-6-carbonitrile,4-nitro-
3420-02-8 [RN]
6-Cyano-4-nitro indole
6-cyano-4-nitro-1h-indole
atoms 14 bonds 15
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 415.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.9±3.0 kJ/mol
    Flash Point: 205.3±24.6 °C
    Index of Refraction: 1.703
    Molar Refractivity: 48.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.89
    ACD/LogD (pH 5.5): 2.04
    ACD/BCF (pH 5.5): 20.97
    ACD/KOC (pH 5.5): 307.31
    ACD/LogD (pH 7.4): 2.04
    ACD/BCF (pH 7.4): 20.97
    ACD/KOC (pH 7.4): 307.31
    Polar Surface Area: 85 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 79.9±5.0 dyne/cm
    Molar Volume: 125.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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