ChemSpider 2D Image | 2-Formyl-1H-indole-6-carbonitrile | C10H6N2O

2-Formyl-1H-indole-6-carbonitrile

  • Molecular FormulaC10H6N2O
  • Average mass170.167 Da
  • Monoisotopic mass170.048019 Da
  • ChemSpider ID27020513

More details:

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

104291-63-6 [RN]
1H-Indole-6-carbonitrile, 2-formyl- [ACD/Index Name]
2-Formyl-1H-indol-6-carbonitril [German] [ACD/IUPAC Name]
2-Formyl-1H-indole-6-carbonitrile [ACD/IUPAC Name]
2-Formyl-1H-indole-6-carbonitrile [French] [ACD/IUPAC Name]
[104291-63-6] [RN]
1-((2R,3R,4R,5R)-3-(2-methoxyethoxy)-tetrahydro-4-hydroxy-5-(hydroxymethyl)furan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
DS-17344
MFCD12924835 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 429.6±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.5±3.0 kJ/mol
    Flash Point: 213.6±23.2 °C
    Index of Refraction: 1.674
    Molar Refractivity: 47.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.43
    ACD/LogD (pH 5.5): 1.64
    ACD/BCF (pH 5.5): 10.46
    ACD/KOC (pH 5.5): 186.85
    ACD/LogD (pH 7.4): 1.64
    ACD/BCF (pH 7.4): 10.46
    ACD/KOC (pH 7.4): 186.85
    Polar Surface Area: 57 Å2
    Polarizability: 18.9±0.5 10-24cm3
    Surface Tension: 68.8±5.0 dyne/cm
    Molar Volume: 127.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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