ChemSpider 2D Image | 4-(4-Bromo-3-fluorobenzyl)thiomorpholine 1,1-dioxide | C11H13BrFNO2S

4-(4-Bromo-3-fluorobenzyl)thiomorpholine 1,1-dioxide

  • Molecular FormulaC11H13BrFNO2S
  • Average mass322.194 Da
  • Monoisotopic mass320.983429 Da
  • ChemSpider ID58540437

More details:

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

1,1-Dioxyde de 4-(4-bromo-3-fluorobenzyl)thiomorpholine [French] [ACD/IUPAC Name]
1973485-27-6 [RN]
4-(4-Brom-3-fluorbenzyl)thiomorpholin-1,1-dioxid [German] [ACD/IUPAC Name]
4-(4-Bromo-3-fluorobenzyl)thiomorpholine 1,1-dioxide [ACD/IUPAC Name]
Thiomorpholine, 4-[(4-bromo-3-fluorophenyl)methyl]-, 1,1-dioxide [ACD/Index Name]
4-[(4-bromo-3-fluorophenyl)methyl]-1???-thiomorpholine-1,1-dione
4-[(4-BROMO-3-FLUOROPHENYL)METHYL]-1??-THIOMORPHOLINE-1,1-DIONE
4-[(4-Bromo-3-fluorophenyl)methyl]-1-thiomorpholine-1,1-dione
4-[(4-bromo-3-fluorophenyl)methyl]-1λ?-thiomorpholine-1,1-dione
FC1=C(Br)C=CC(CN2CCS(=O)(=O)CC2)=C1
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 444.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.3±3.0 kJ/mol
    Flash Point: 222.8±28.7 °C
    Index of Refraction: 1.590
    Molar Refractivity: 68.4±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): 1.42
    ACD/BCF (pH 5.5): 6.94
    ACD/KOC (pH 5.5): 136.39
    ACD/LogD (pH 7.4): 1.45
    ACD/BCF (pH 7.4): 7.45
    ACD/KOC (pH 7.4): 146.49
    Polar Surface Area: 46 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 49.9±3.0 dyne/cm
    Molar Volume: 202.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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