ChemSpider 2D Image | Methyl 4-{[(4-fluorophenyl)sulfonyl](methyl)amino}butanoate | C12H16FNO4S

Methyl 4-{[(4-fluorophenyl)sulfonyl](methyl)amino}butanoate

  • Molecular FormulaC12H16FNO4S
  • Average mass289.323 Da
  • Monoisotopic mass289.078400 Da
  • ChemSpider ID22767484

More details:

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

4-{[(4-Fluorophényl)sulfonyl](méthyl)amino}butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(4-fluorophenyl)sulfonyl]methylamino]-, methyl ester [ACD/Index Name]
Methyl 4-{[(4-fluorophenyl)sulfonyl](methyl)amino}butanoate [ACD/IUPAC Name]
Methyl-4-{[(4-fluorphenyl)sulfonyl](methyl)amino}butanoat [German] [ACD/IUPAC Name]
1118792-55-4 [RN]
methyl 4-[(4-fluorobenzene)(methyl)sulfonamido]butanoate
MFCD11732839

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

Density: 1.3±0.1 g/cm3
Boiling Point: 391.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 190.8±30.7 °C
Index of Refraction: 1.517
Molar Refractivity: 69.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.57
ACD/KOC (pH 5.5): 225.04
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.57
ACD/KOC (pH 7.4): 225.04
Polar Surface Area: 72 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 228.7±3.0 cm3

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