ChemSpider 2D Image | 4-Bromo-1-tosylpyrrolidin-3-one | C11H12BrNO3S

4-Bromo-1-tosylpyrrolidin-3-one

  • Molecular FormulaC11H12BrNO3S
  • Average mass318.187 Da
  • Monoisotopic mass316.972107 Da
  • ChemSpider ID26546855

More details:

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

170456-82-3 [RN]
3-Pyrrolidinone, 4-bromo-1-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
4-Brom-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinon [German] [ACD/IUPAC Name]
4-Bromo-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinone [ACD/IUPAC Name]
4-Bromo-1-[(4-méthylphényl)sulfonyl]-3-pyrrolidinone [French] [ACD/IUPAC Name]
4-Bromo-1-tosylpyrrolidin-3-one
[170456-82-3] [RN]
4-Bromo-1-(4-methylbenzene-1-sulfonyl)pyrrolidin-3-one
4-BROMO-1-(4-METHYLBENZENESULFONYL)PYRROLIDIN-3-ONE
4-bromo-1-(4-methylphenyl)sulfonylpyrrolidin-3-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 446.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.4±3.0 kJ/mol
    Flash Point: 223.6±31.5 °C
    Index of Refraction: 1.622
    Molar Refractivity: 68.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.80
    ACD/LogD (pH 5.5): 1.46
    ACD/BCF (pH 5.5): 7.63
    ACD/KOC (pH 5.5): 149.05
    ACD/LogD (pH 7.4): 1.46
    ACD/BCF (pH 7.4): 7.63
    ACD/KOC (pH 7.4): 149.05
    Polar Surface Area: 63 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 57.5±3.0 dyne/cm
    Molar Volume: 194.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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