Found 222 results

Search term: MF = 'C_{11}H_{12}BrNO_{5}S'
ChemSpider 2D Image | 2-Bromo-2-(methylsulfonyl)-1-(4-nitrophenyl)-1-butanone | C11H12BrNO5S

2-Bromo-2-(methylsulfonyl)-1-(4-nitrophenyl)-1-butanone

  • Molecular FormulaC11H12BrNO5S
  • Average mass350.186 Da
  • Monoisotopic mass348.961945 Da
  • ChemSpider ID35495247

More details:

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

1-Butanone, 2-bromo-2-(methylsulfonyl)-1-(4-nitrophenyl)- [ACD/Index Name]
2-Brom-2-(methylsulfonyl)-1-(4-nitrophenyl)-1-butanon [German] [ACD/IUPAC Name]
2-Bromo-2-(methylsulfonyl)-1-(4-nitrophenyl)-1-butanone [ACD/IUPAC Name]
2-Bromo-2-(méthylsulfonyl)-1-(4-nitrophényl)-1-butanone [French] [ACD/IUPAC Name]
1710694-95-3 [RN]
2-Bromo-2-methanesulfonyl-1-(4-nitro-phenyl)-butan-1-one
2-bromo-2-methylsulfonyl-1-(4-nitrophenyl)butan-1-one
MFCD26527602

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 492.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.0±3.0 kJ/mol
    Flash Point: 251.9±27.3 °C
    Index of Refraction: 1.585
    Molar Refractivity: 72.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.31
    ACD/LogD (pH 5.5): 2.24
    ACD/BCF (pH 5.5): 29.68
    ACD/KOC (pH 5.5): 394.11
    ACD/LogD (pH 7.4): 2.24
    ACD/BCF (pH 7.4): 29.68
    ACD/KOC (pH 7.4): 394.11
    Polar Surface Area: 105 Å2
    Polarizability: 28.8±0.5 10-24cm3
    Surface Tension: 58.0±3.0 dyne/cm
    Molar Volume: 216.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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