ChemSpider 2D Image | 4-[(4-Fluorophenyl)(methylsulfonyl)amino]butanoic acid | C11H14FNO4S

4-[(4-Fluorophenyl)(methylsulfonyl)amino]butanoic acid

  • Molecular FormulaC11H14FNO4S
  • Average mass275.297 Da
  • Monoisotopic mass275.062744 Da
  • ChemSpider ID28340046

More details:

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

4-[(4-Fluorophenyl)(methylsulfonyl)amino]butanoic acid [ACD/IUPAC Name]
4-[(4-Fluorphenyl)(methylsulfonyl)amino]butansäure [German] [ACD/IUPAC Name]
Acide 4-[(4-fluorophényl)(méthylsulfonyl)amino]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(4-fluorophenyl)(methylsulfonyl)amino]- [ACD/Index Name]
1266481-70-2 [RN]
4-(4-fluoro-N-methylsulfonylanilino)butanoic acid
butanoic acid, 4-[(4-fluorophenyl)(methylsulfonyl)amino]
MFCD28954519

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 464.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.5±3.0 kJ/mol
    Flash Point: 234.7±31.5 °C
    Index of Refraction: 1.568
    Molar Refractivity: 64.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.34
    ACD/LogD (pH 5.5): 0.28
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.02
    ACD/LogD (pH 7.4): -1.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 57.0±3.0 dyne/cm
    Molar Volume: 196.8±3.0 cm3

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