ChemSpider 2D Image | Ethyl 7-bromo-4-fluoro-3-formyl-1H-indole-2-carboxylate | C12H9BrFNO3

Ethyl 7-bromo-4-fluoro-3-formyl-1H-indole-2-carboxylate

  • Molecular FormulaC12H9BrFNO3
  • Average mass314.107 Da
  • Monoisotopic mass312.974976 Da
  • ChemSpider ID107440722

More details:

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

1H-Indole-2-carboxylic acid, 7-bromo-4-fluoro-3-formyl-, ethyl ester [ACD/Index Name]
7-Bromo-4-fluoro-3-formyl-1H-indole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 7-bromo-4-fluoro-3-formyl-1H-indole-2-carboxylate [ACD/IUPAC Name]
Ethyl-7-brom-4-fluor-3-formyl-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]
1352908-92-9 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 474.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 240.6±28.7 °C
Index of Refraction: 1.658
Molar Refractivity: 69.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.27
ACD/KOC (pH 5.5): 1027.87
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.25
ACD/KOC (pH 7.4): 1027.73
Polar Surface Area: 59 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 188.3±3.0 cm3

Click to predict properties on the Chemicalize site


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