ChemSpider 2D Image | Methyl 5-fluoro-1H-indole-3-carboxylate | C10H8FNO2

Methyl 5-fluoro-1H-indole-3-carboxylate

  • Molecular FormulaC10H8FNO2
  • Average mass193.174 Da
  • Monoisotopic mass193.053909 Da
  • ChemSpider ID21107701

More details:

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

1H-Indole-3-carboxylic acid, 5-fluoro-, methyl ester [ACD/Index Name]
310886-79-4 [RN]
5-Fluoro-1H-indole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-FLUORO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
Methyl 5-fluoro-1H-indole-3-carboxylate [ACD/IUPAC Name]
Methyl-5-fluor-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
[310886-79-4] [RN]
1H-INDOLE-3-CARBOXYLIC ACID,5-FLUORO-,METHYL ESTER
5-Fluoro-1H-indole-3-carboxylicacid methyl ester
5-Fluoro-1H-indole-3-carboxylicacidmethylester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 335.3±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.8±3.0 kJ/mol
    Flash Point: 156.6±22.3 °C
    Index of Refraction: 1.616
    Molar Refractivity: 50.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.68
    ACD/LogD (pH 5.5): 2.69
    ACD/BCF (pH 5.5): 65.43
    ACD/KOC (pH 5.5): 693.96
    ACD/LogD (pH 7.4): 2.69
    ACD/BCF (pH 7.4): 65.43
    ACD/KOC (pH 7.4): 693.96
    Polar Surface Area: 42 Å2
    Polarizability: 19.9±0.5 10-24cm3
    Surface Tension: 49.9±3.0 dyne/cm
    Molar Volume: 144.0±3.0 cm3

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