ChemSpider 2D Image | Ethyl 4-bromo-5-methyl-1H-pyrrole-2-carboxylate | C8H10BrNO2

Ethyl 4-bromo-5-methyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC8H10BrNO2
  • Average mass232.074 Da
  • Monoisotopic mass230.989487 Da
  • ChemSpider ID29356014

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-bromo-5-methyl-, ethyl ester [ACD/Index Name]
25907-29-3 [RN]
4-Bromo-5-méthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-bromo-5-methyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-brom-5-methyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
4-bromo-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester
Chemistry 14267
MFCD22581480 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 318.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.0±3.0 kJ/mol
    Flash Point: 146.6±26.5 °C
    Index of Refraction: 1.555
    Molar Refractivity: 49.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.87
    ACD/LogD (pH 5.5): 2.82
    ACD/BCF (pH 5.5): 81.17
    ACD/KOC (pH 5.5): 809.74
    ACD/LogD (pH 7.4): 2.82
    ACD/BCF (pH 7.4): 81.17
    ACD/KOC (pH 7.4): 809.74
    Polar Surface Area: 42 Å2
    Polarizability: 19.7±0.5 10-24cm3
    Surface Tension: 44.6±3.0 dyne/cm
    Molar Volume: 154.6±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement