ChemSpider 2D Image | 4-Fluoro-3-Hydroxy-1-Benzyl-1H-Pyrrole-2-Ethyl Ester | C14H14FNO3

4-Fluoro-3-Hydroxy-1-Benzyl-1H-Pyrrole-2-Ethyl Ester

  • Molecular FormulaC14H14FNO3
  • Average mass263.264 Da
  • Monoisotopic mass263.095764 Da
  • ChemSpider ID26567153

More details:

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

1357479-14-1 [RN]
1-Benzyl-4-fluoro-3-hydroxy-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid, 4-fluoro-3-hydroxy-1-(phenylmethyl)-, ethyl ester [ACD/Index Name]
4-Fluoro-3-Hydroxy-1-Benzyl-1H-Pyrrole-2-Ethyl Ester
Ethyl 1-benzyl-4-fluoro-3-hydroxy-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-1-benzyl-4-fluor-3-hydroxy-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
Ethyl 1-Benzyl-3-Hydroxy-4-Fluoro-1H-Pyrrole-2-Carboxylate
Ethyl 1-benzyl-4-fluoro-3-hydroxypyrrole-2-carboxylate
ethyl1-benzyl-4-fluoro-3-hydroxy-1H-pyrrole-2-carboxylate
MFCD21362513 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 359.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.9±3.0 kJ/mol
    Flash Point: 171.3±27.9 °C
    Index of Refraction: 1.552
    Molar Refractivity: 68.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.31
    ACD/LogD (pH 5.5): 4.20
    ACD/BCF (pH 5.5): 910.18
    ACD/KOC (pH 5.5): 4568.07
    ACD/LogD (pH 7.4): 4.19
    ACD/BCF (pH 7.4): 903.59
    ACD/KOC (pH 7.4): 4534.99
    Polar Surface Area: 51 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 40.7±7.0 dyne/cm
    Molar Volume: 214.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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