ChemSpider 2D Image | MK-0752 | C21H21ClF2O4S

MK-0752

  • Molecular FormulaC21H21ClF2O4S
  • Average mass442.904 Da
  • Monoisotopic mass442.081726 Da
  • ChemSpider ID28294999

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-{trans-4-[(4-Chlorphenyl)sulfonyl]-4-(2,5-difluorphenyl)cyclohexyl}propansäure [German] [ACD/IUPAC Name]
471905-41-6 [RN]
Acide 3-{trans-4-[(4-chlorophényl)sulfonyl]-4-(2,5-difluorophényl)cyclohexyl}propanoïque [French] [ACD/IUPAC Name]
MK-0752
3-((1r,4s)-4-((4-chlorophenyl)sulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)propanoic acid
3-((1r,4s)-4-(4-chlorophenylsulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)propanoic acid
3-(cis-4-((4-Chlorophenyl)sulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)propanoic acid
3-[(1r,4s)-4-(4-chlorobenzenesulfonyl)-4-(2,5-difluorophenyl)cyclohexyl]propanoic acid
3-{trans-4-[(4-Chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexyl}propanoic acid [ACD/IUPAC Name]
942296-42-6 [RN]
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 616.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.2±3.0 kJ/mol
    Flash Point: 326.9±31.5 °C
    Index of Refraction: 1.569
    Molar Refractivity: 106.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.41
    ACD/LogD (pH 5.5): 3.64
    ACD/BCF (pH 5.5): 221.61
    ACD/KOC (pH 5.5): 977.56
    ACD/LogD (pH 7.4): 1.85
    ACD/BCF (pH 7.4): 3.54
    ACD/KOC (pH 7.4): 15.63
    Polar Surface Area: 80 Å2
    Polarizability: 42.3±0.5 10-24cm3
    Surface Tension: 48.0±3.0 dyne/cm
    Molar Volume: 325.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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