ChemSpider 2D Image | 1-Benzyl-1H-indole-4-carbonitrile | C16H12N2

1-Benzyl-1H-indole-4-carbonitrile

  • Molecular FormulaC16H12N2
  • Average mass232.280 Da
  • Monoisotopic mass232.100052 Da
  • ChemSpider ID24750914

More details:

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

177548-00-4 [RN]
1-Benzyl-1H-indol-4-carbonitril [German] [ACD/IUPAC Name]
1-Benzyl-1H-indole-4-carbonitrile [ACD/IUPAC Name]
1-Benzyl-1H-indole-4-carbonitrile [French] [ACD/IUPAC Name]
1H-Indole-4-carbonitrile, 1-(phenylmethyl)- [ACD/Index Name]
[177548-00-4] [RN]
1-benzyl-1H-indole-4-carbonitrile(SALTDATA: FREE)
1-benzylindole-4-carbonitrile
1H-indole-4-carbonitrile, 1-(phenylmethyl)
MFCD15200968 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 447.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 224.2±24.0 °C
Index of Refraction: 1.620
Molar Refractivity: 74.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 424.17
ACD/KOC (pH 5.5): 2644.83
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 424.17
ACD/KOC (pH 7.4): 2644.83
Polar Surface Area: 29 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 212.2±7.0 cm3

Click to predict properties on the Chemicalize site


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