ChemSpider 2D Image | (2,4,5,6,7-~2~H_5_)-1H-Indol-3-ylacetonitrile | C10H3D5N2

(2,4,5,6,7-2H5)-1H-Indol-3-ylacetonitrile

  • Molecular FormulaC10H3D5N2
  • Average mass161.215 Da
  • Monoisotopic mass161.100128 Da
  • ChemSpider ID107434980
  • Non-standard isotope - Non-standard isotope


More details:






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

(2,4,5,6,7-2H5)-1H-Indol-3-ylacetonitril [German] [ACD/IUPAC Name]
(2,4,5,6,7-2H5)-1H-Indol-3-ylacetonitrile [ACD/IUPAC Name]
(2,4,5,6,7-2H5)-1H-Indol-3-ylacétonitrile [French] [ACD/IUPAC Name]
1H-Indole-2,4,5,6,7-d5-3-acetonitrile [ACD/Index Name]
1204700-51-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 374.1±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 127.6±6.1 °C
Index of Refraction: 1.673
Molar Refractivity: 48.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.02
ACD/KOC (pH 5.5): 253.44
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.02
ACD/KOC (pH 7.4): 253.44
Polar Surface Area: 40 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 128.1±3.0 cm3

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