ChemSpider 2D Image | 4-(2-Methyl-5-fluorophenyl)-4-oxobutyric acid | C11H11FO3

4-(2-Methyl-5-fluorophenyl)-4-oxobutyric acid

  • Molecular FormulaC11H11FO3
  • Average mass210.202 Da
  • Monoisotopic mass210.069229 Da
  • ChemSpider ID21401854

More details:

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

4-(2-Methyl-5-fluorophenyl)-4-oxobutyric acid
4-(5-Fluor-2-methylphenyl)-4-oxobutansäure [German] [ACD/IUPAC Name]
4-(5-Fluoro-2-methylphenyl)-4-oxobutanoic acid [ACD/IUPAC Name]
97072-94-1 [RN]
Acide 4-(5-fluoro-2-méthylphényl)-4-oxobutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 5-fluoro-2-methyl-γ-oxo- [ACD/Index Name]
4-(5-fluoro-2-methyl-phenyl)-4-oxo-butyric acid
MFCD02261159 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 378.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 182.4±25.1 °C
Index of Refraction: 1.526
Molar Refractivity: 51.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.92
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 169.1±3.0 cm3

Click to predict properties on the Chemicalize site


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