ChemSpider 2D Image | 7-Bromo-1H-indole-4-carbonitrile | C9H5BrN2

7-Bromo-1H-indole-4-carbonitrile

  • Molecular FormulaC9H5BrN2
  • Average mass221.053 Da
  • Monoisotopic mass219.963608 Da
  • ChemSpider ID30911438

More details:

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

1H-Indole-4-carbonitrile, 7-bromo- [ACD/Index Name]
7-Brom-1H-indol-4-carbonitril [German] [ACD/IUPAC Name]
7-Bromo-1H-indole-4-carbonitrile [ACD/IUPAC Name]
7-Bromo-1H-indole-4-carbonitrile [French] [ACD/IUPAC Name]
1258959-58-8 [RN]
1h-indole-4-carbonitrile,7-bromo-

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

Density: 1.7±0.1 g/cm3
Boiling Point: 392.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 191.0±22.3 °C
Index of Refraction: 1.727
Molar Refractivity: 50.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 123.68
ACD/KOC (pH 5.5): 1094.68
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 123.68
ACD/KOC (pH 7.4): 1094.68
Polar Surface Area: 40 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 127.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement