ChemSpider 2D Image | 2-Benzyl-1H-indole-5-carbonitrile | C16H12N2

2-Benzyl-1H-indole-5-carbonitrile

  • Molecular FormulaC16H12N2
  • Average mass232.280 Da
  • Monoisotopic mass232.100052 Da
  • ChemSpider ID24749279

More details:

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

179748-04-0 [RN]
1H-Indole-5-carbonitrile, 2-(phenylmethyl)- [ACD/Index Name]
2-Benzyl-1H-indol-5-carbonitril [German] [ACD/IUPAC Name]
2-Benzyl-1H-indole-5-carbonitrile [ACD/IUPAC Name]
2-Benzyl-1H-indole-5-carbonitrile [French] [ACD/IUPAC Name]
1H-Indole-5-carbonitrile,2-(phenylmethyl)-
2-(phenylmethyl)-1H-Indole-5-carbonitrile
2-Benzyl-5-cyanoindole
MFCD16658902

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

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 452.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.2±3.0 kJ/mol
    Flash Point: 145.4±9.7 °C
    Index of Refraction: 1.684
    Molar Refractivity: 72.1±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.35
    ACD/LogD (pH 5.5): 4.06
    ACD/BCF (pH 5.5): 716.74
    ACD/KOC (pH 5.5): 3850.08
    ACD/LogD (pH 7.4): 4.06
    ACD/BCF (pH 7.4): 716.74
    ACD/KOC (pH 7.4): 3850.08
    Polar Surface Area: 40 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 61.2±5.0 dyne/cm
    Molar Volume: 190.0±5.0 cm3

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