ChemSpider 2D Image | 2-Bromo-1-(2-methylphenyl)-2-(methylsulfonyl)-1-butanone | C12H15BrO3S

2-Bromo-1-(2-methylphenyl)-2-(methylsulfonyl)-1-butanone

  • Molecular FormulaC12H15BrO3S
  • Average mass319.215 Da
  • Monoisotopic mass317.992523 Da
  • ChemSpider ID35495256

More details:

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

1-Butanone, 2-bromo-1-(2-methylphenyl)-2-(methylsulfonyl)- [ACD/Index Name]
2-Brom-1-(2-methylphenyl)-2-(methylsulfonyl)-1-butanon [German] [ACD/IUPAC Name]
2-Bromo-1-(2-methylphenyl)-2-(methylsulfonyl)-1-butanone [ACD/IUPAC Name]
2-Bromo-1-(2-méthylphényl)-2-(méthylsulfonyl)-1-butanone [French] [ACD/IUPAC Name]
1713463-94-5 [RN]
2-bromo-1-(2-methylphenyl)-2-methylsulfonylbutan-1-one
2-Bromo-2-methanesulfonyl-1-o-tolyl-butan-1-one
MFCD26527611

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 434.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.1±3.0 kJ/mol
    Flash Point: 216.6±27.3 °C
    Index of Refraction: 1.557
    Molar Refractivity: 71.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.01
    ACD/LogD (pH 5.5): 2.75
    ACD/BCF (pH 5.5): 72.43
    ACD/KOC (pH 5.5): 746.35
    ACD/LogD (pH 7.4): 2.75
    ACD/BCF (pH 7.4): 72.43
    ACD/KOC (pH 7.4): 746.35
    Polar Surface Area: 60 Å2
    Polarizability: 28.2±0.5 10-24cm3
    Surface Tension: 47.4±3.0 dyne/cm
    Molar Volume: 221.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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