ChemSpider 2D Image | Butyl 5-bromo-1H-indole-3-carboxylate | C13H14BrNO2

Butyl 5-bromo-1H-indole-3-carboxylate

  • Molecular FormulaC13H14BrNO2
  • Average mass296.160 Da
  • Monoisotopic mass295.020782 Da
  • ChemSpider ID30651986

More details:

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

1H-Indole-3-carboxylic acid, 5-bromo-, butyl ester [ACD/Index Name]
5-Bromo-1H-indole-3-carboxylate de butyle [French] [ACD/IUPAC Name]
Butyl 5-bromo-1H-indole-3-carboxylate [ACD/IUPAC Name]
Butyl-5-brom-1H-indol-3-carboxylat [German] [ACD/IUPAC 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: 414.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 204.6±23.2 °C
Index of Refraction: 1.617
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1029.73
ACD/KOC (pH 5.5): 4990.07
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1029.73
ACD/KOC (pH 7.4): 4990.07
Polar Surface Area: 42 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 205.5±3.0 cm3

Click to predict properties on the Chemicalize site


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