ChemSpider 2D Image | Methyl 4-(chlorosulfonyl)-1-ethyl-1H-pyrrole-2-carboxylate | C8H10ClNO4S

Methyl 4-(chlorosulfonyl)-1-ethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC8H10ClNO4S
  • Average mass251.687 Da
  • Monoisotopic mass251.001907 Da
  • ChemSpider ID35493827

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-(chlorosulfonyl)-1-ethyl-, methyl ester [ACD/Index Name]
4-(Chlorosulfonyl)-1-éthyl-1H-pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(chlorosulfonyl)-1-ethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-4-(chlorsulfonyl)-1-ethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
1601901-23-8 [RN]
4-Chlorosulfonyl-1-ethyl-1H-pyrrole-2-carboxylic acid methyl ester
methyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
MFCD26382415

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 373.4±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.1±3.0 kJ/mol
    Flash Point: 179.6±23.7 °C
    Index of Refraction: 1.564
    Molar Refractivity: 57.0±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.50
    ACD/LogD (pH 5.5): 2.26
    ACD/BCF (pH 5.5): 30.70
    ACD/KOC (pH 5.5): 403.76
    ACD/LogD (pH 7.4): 2.26
    ACD/BCF (pH 7.4): 30.70
    ACD/KOC (pH 7.4): 403.76
    Polar Surface Area: 74 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 48.3±7.0 dyne/cm
    Molar Volume: 175.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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