ChemSpider 2D Image | 2-(4-bromophenyl)-3-methanesulfonyl-1H-pyrrole | C11H10BrNO2S

2-(4-bromophenyl)-3-methanesulfonyl-1H-pyrrole

  • Molecular FormulaC11H10BrNO2S
  • Average mass300.172 Da
  • Monoisotopic mass298.961548 Da
  • ChemSpider ID35500065

More details:

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

1707568-00-0 [RN]
1H-Pyrrole, 2-(4-bromophenyl)-3-(methylsulfonyl)- [ACD/Index Name]
2-(4-Bromophenyl)-3-(methylsulfonyl)-1H-pyrrole [ACD/IUPAC Name]
2-(4-Bromophényl)-3-(méthylsulfonyl)-1H-pyrrole [French] [ACD/IUPAC Name]
2-(4-bromophenyl)-3-methanesulfonyl-1H-pyrrole
2-(4-Bromphenyl)-3-(methylsulfonyl)-1H-pyrrol [German] [ACD/IUPAC Name]
2-(4-Bromo-phenyl)-3-methanesulfonyl-1H-pyrrole
2-(4-bromophenyl)-3-methylsulfonyl-1H-pyrrole
MFCD27975247

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 528.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±3.0 kJ/mol
    Flash Point: 273.3±30.1 °C
    Index of Refraction: 1.614
    Molar Refractivity: 66.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.95
    ACD/LogD (pH 5.5): 2.40
    ACD/BCF (pH 5.5): 39.43
    ACD/KOC (pH 5.5): 482.99
    ACD/LogD (pH 7.4): 2.40
    ACD/BCF (pH 7.4): 39.43
    ACD/KOC (pH 7.4): 482.99
    Polar Surface Area: 58 Å2
    Polarizability: 26.4±0.5 10-24cm3
    Surface Tension: 50.0±3.0 dyne/cm
    Molar Volume: 191.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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