ChemSpider 2D Image | 4-{(Methylsulfonyl)[3-(trifluoromethyl)phenyl]amino}butanoic acid | C12H14F3NO4S

4-{(Methylsulfonyl)[3-(trifluoromethyl)phenyl]amino}butanoic acid

  • Molecular FormulaC12H14F3NO4S
  • Average mass325.304 Da
  • Monoisotopic mass325.059570 Da
  • ChemSpider ID28342291

More details:

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

4-{(Methylsulfonyl)[3-(trifluormethyl)phenyl]amino}butansäure [German] [ACD/IUPAC Name]
4-{(Methylsulfonyl)[3-(trifluoromethyl)phenyl]amino}butanoic acid [ACD/IUPAC Name]
Acide 4-{(méthylsulfonyl)[3-(trifluorométhyl)phényl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(methylsulfonyl)[3-(trifluoromethyl)phenyl]amino]- [ACD/Index Name]
1266516-69-1 [RN]
4-((MEthylsulfonyl)[3-(trifluoromethyl)phenyl]amino)butanoic acid
4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanoic acid
butanoic acid, 4-[(methylsulfonyl)[3-(trifluoromethyl)phenyl]amino]
MFCD28954542

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 458.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.8±3.0 kJ/mol
    Flash Point: 231.3±31.5 °C
    Index of Refraction: 1.525
    Molar Refractivity: 69.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.18
    ACD/LogD (pH 5.5): 1.05
    ACD/BCF (pH 5.5): 2.12
    ACD/KOC (pH 5.5): 30.91
    ACD/LogD (pH 7.4): -0.76
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 46.6±3.0 dyne/cm
    Molar Volume: 226.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement