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

2-[(2-Fluorophenyl)(methylsulfonyl)amino]butanoic acid

  • Molecular FormulaC11H14FNO4S
  • Average mass275.297 Da
  • Monoisotopic mass275.062744 Da
  • ChemSpider ID35227350

More details:

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

1858240-36-4 [RN]
2-[(2-Fluorophenyl)(methylsulfonyl)amino]butanoic acid [ACD/IUPAC Name]
2-[(2-Fluorphenyl)(methylsulfonyl)amino]butansäure [German] [ACD/IUPAC Name]
Acide 2-[(2-fluorophényl)(méthylsulfonyl)amino]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[(2-fluorophenyl)(methylsulfonyl)amino]- [ACD/Index Name]
2-(N-(2-fluorophenyl)methylsulfonamido)butanoic acid
butanoic acid, 2-[(2-fluorophenyl)(methylsulfonyl)amino]
MFCD28954529

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 421.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.2±3.0 kJ/mol
    Flash Point: 208.8±31.5 °C
    Index of Refraction: 1.566
    Molar Refractivity: 64.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): -0.81
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.28
    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: 55.5±3.0 dyne/cm
    Molar Volume: 197.2±3.0 cm3

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