ChemSpider 2D Image | Ethyl 4-bromo-1,3,5-trimethyl-1H-pyrrole-2-carboxylate | C10H14BrNO2

Ethyl 4-bromo-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC10H14BrNO2
  • Average mass260.128 Da
  • Monoisotopic mass259.020782 Da
  • ChemSpider ID32055994

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-bromo-1,3,5-trimethyl-, ethyl ester [ACD/Index Name]
4-Bromo-1,3,5-triméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
86614-23-5 [RN]
Ethyl 4-bromo-1,3,5-trimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-brom-1,3,5-trimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
ethyl 4-bromo-1,3,5-trimethylpyrrole-2-carboxylate
MFCD03086159 [MDL number]
TS-03474

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 315.1±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.6±3.0 kJ/mol
    Flash Point: 144.4±26.5 °C
    Index of Refraction: 1.539
    Molar Refractivity: 59.1±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.93
    ACD/LogD (pH 5.5): 3.66
    ACD/BCF (pH 5.5): 353.54
    ACD/KOC (pH 5.5): 2321.54
    ACD/LogD (pH 7.4): 3.66
    ACD/BCF (pH 7.4): 353.54
    ACD/KOC (pH 7.4): 2321.54
    Polar Surface Area: 31 Å2
    Polarizability: 23.4±0.5 10-24cm3
    Surface Tension: 34.7±7.0 dyne/cm
    Molar Volume: 188.7±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement