ChemSpider 2D Image | 1-(4-Bromophenylsulfonyl)piperidin-4-one | C11H12BrNO3S

1-(4-Bromophenylsulfonyl)piperidin-4-one

  • Molecular FormulaC11H12BrNO3S
  • Average mass318.187 Da
  • Monoisotopic mass316.972107 Da
  • ChemSpider ID21472759

More details:

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

1-((4-Bromophenyl)sulfonyl)piperidin-4-one
1-(4-Bromophenylsulfonyl)piperidin-4-one
1-[(4-Bromophenyl)sulfonyl]-4-piperidinone [ACD/IUPAC Name]
1-[(4-Bromophényl)sulfonyl]-4-pipéridinone [French] [ACD/IUPAC Name]
1-[(4-Bromphenyl)sulfonyl]-4-piperidinon [German] [ACD/IUPAC Name]
4-Piperidinone, 1-[(4-bromophenyl)sulfonyl]- [ACD/Index Name]
929000-54-4 [RN]
[929000-54-4] [RN]
1-(4-Bromobenzene-1-sulfonyl)piperidin-4-one
1-(4-bromobenzenesulfonyl)piperidin-4-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 449.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.8±3.0 kJ/mol
    Flash Point: 225.5±31.5 °C
    Index of Refraction: 1.609
    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: 1.97
    ACD/LogD (pH 5.5): 1.87
    ACD/BCF (pH 5.5): 15.56
    ACD/KOC (pH 5.5): 248.22
    ACD/LogD (pH 7.4): 1.87
    ACD/BCF (pH 7.4): 15.56
    ACD/KOC (pH 7.4): 248.22
    Polar Surface Area: 63 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 54.6±3.0 dyne/cm
    Molar Volume: 197.5±3.0 cm3

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