ChemSpider 2D Image | 1-(4-Bromophenyl)-2-methyl-1H-indole-3-carbonitrile | C16H11BrN2

1-(4-Bromophenyl)-2-methyl-1H-indole-3-carbonitrile

  • Molecular FormulaC16H11BrN2
  • Average mass311.176 Da
  • Monoisotopic mass310.010559 Da
  • ChemSpider ID30656940

More details:

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

1-(4-Bromophenyl)-2-methyl-1H-indole-3-carbonitrile [ACD/IUPAC Name]
1-(4-Bromophényl)-2-méthyl-1H-indole-3-carbonitrile [French] [ACD/IUPAC Name]
1-(4-Bromphenyl)-2-methyl-1H-indol-3-carbonitril [German] [ACD/IUPAC Name]
1H-Indole-3-carbonitrile, 1-(4-bromophenyl)-2-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 368.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 176.8±25.7 °C
Index of Refraction: 1.652
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5319.84
ACD/KOC (pH 5.5): 16165.55
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5319.84
ACD/KOC (pH 7.4): 16165.55
Polar Surface Area: 29 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 223.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement