ChemSpider 2D Image | 3-{[2-(2-fluorophenyl)-2-oxoethyl]carbamoyl}propanoic acid | C12H12FNO4

3-{[2-(2-fluorophenyl)-2-oxoethyl]carbamoyl}propanoic acid

  • Molecular FormulaC12H12FNO4
  • Average mass253.226 Da
  • Monoisotopic mass253.075043 Da
  • ChemSpider ID26053546

More details:

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

1258639-39-2 [RN]
3-{[2-(2-fluorophenyl)-2-oxoethyl]carbamoyl}propanoic acid
4-{[2-(2-Fluorophenyl)-2-oxoethyl]amino}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[2-(2-Fluorphenyl)-2-oxoethyl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[2-(2-fluorophényl)-2-oxoéthyl]amino}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-4-oxo- [ACD/Index Name]
3-([2-(2-Fluorophenyl)-2-oxoethyl]carbamoyl)propanoic acid
MFCD17977018 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 276.9±27.3 °C
Index of Refraction: 1.538
Molar Refractivity: 60.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.03
ACD/LogD (pH 7.4): -2.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 191.8±3.0 cm3

Click to predict properties on the Chemicalize site


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