ChemSpider 2D Image | 6-Fluoro-1H-indole-3-carboxylic acid | C9H6FNO2

6-Fluoro-1H-indole-3-carboxylic acid

  • Molecular FormulaC9H6FNO2
  • Average mass179.148 Da
  • Monoisotopic mass179.038254 Da
  • ChemSpider ID21107703

More details:

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

1H-Indole-3-carboxylic acid, 6-fluoro- [ACD/Index Name]
23077-44-3 [RN]
6-Fluor-1H-indol-3-carbonsäure [German] [ACD/IUPAC Name]
6-Fluoro-1H-indole-3-carboxylic acid [ACD/IUPAC Name]
Acide 6-fluoro-1H-indole-3-carboxylique [French] [ACD/IUPAC Name]
MFCD06203359 [MDL number]
[23077-44-3] [RN]
1378817-34-5 [RN]
1H-INDOLE-3-CARBOXYLIC ACID,6-FLUORO-
6-​fluoroindole-​3-​carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 422.2±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.3±3.0 kJ/mol
    Flash Point: 209.1±23.2 °C
    Index of Refraction: 1.692
    Molar Refractivity: 45.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.04
    ACD/LogD (pH 5.5): 0.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.28
    ACD/LogD (pH 7.4): -1.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 53 Å2
    Polarizability: 18.0±0.5 10-24cm3
    Surface Tension: 67.5±3.0 dyne/cm
    Molar Volume: 118.6±3.0 cm3

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