ChemSpider 2D Image | 6-Bromo-4-fluoro-1H-indole-3-carboxylic acid | C9H5BrFNO2

6-Bromo-4-fluoro-1H-indole-3-carboxylic acid

  • Molecular FormulaC9H5BrFNO2
  • Average mass258.044 Da
  • Monoisotopic mass256.948761 Da
  • ChemSpider ID29773977

More details:

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

1H-Indole-3-carboxylic acid, 6-bromo-4-fluoro- [ACD/Index Name]
6-Brom-4-fluor-1H-indol-3-carbonsäure [German] [ACD/IUPAC Name]
6-Bromo-4-fluoro-1H-indole-3-carboxylic acid [ACD/IUPAC Name]
Acide 6-bromo-4-fluoro-1H-indole-3-carboxylique [French] [ACD/IUPAC Name]
1352395-93-7 [RN]
6-Bromo-4-fluoroindole-3-carboxylic acid

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

Density: 1.9±0.1 g/cm3
Boiling Point: 467.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.4±27.3 °C
Index of Refraction: 1.718
Molar Refractivity: 53.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 53 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 134.8±3.0 cm3

Click to predict properties on the Chemicalize site


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