ChemSpider 2D Image | (4,5,6,7-~2~H_4_)-1H-Indole | C8H3D4N

(4,5,6,7-2H4)-1H-Indole

  • Molecular FormulaC8H3D4N
  • Average mass121.173 Da
  • Monoisotopic mass121.082954 Da
  • ChemSpider ID9717557
  • Non-standard isotope - Non-standard isotope


More details:






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

(4,5,6,7-2H4)-1H-Indol [German] [ACD/IUPAC Name]
(4,5,6,7-2H4)-1H-Indole [ACD/IUPAC Name]
(4,5,6,7-2H4)-1H-Indole [French] [ACD/IUPAC Name]
1H-Indole-4,5,6,7-d4 [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 253.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.1±3.0 kJ/mol
Flash Point: 107.8±11.3 °C
Index of Refraction: 1.681
Molar Refractivity: 38.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.25
ACD/KOC (pH 5.5): 507.42
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.25
ACD/KOC (pH 7.4): 507.42
Polar Surface Area: 16 Å2
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 101.9±3.0 cm3

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