ChemSpider 2D Image | Methyl 4-(3-chloro-4-fluorophenyl)-2,4-dioxobutanoate | C11H8ClFO4

Methyl 4-(3-chloro-4-fluorophenyl)-2,4-dioxobutanoate

  • Molecular FormulaC11H8ClFO4
  • Average mass258.630 Da
  • Monoisotopic mass258.009521 Da
  • ChemSpider ID24300832

More details:

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

4-(3-Chloro-4-fluorophényl)-2,4-dioxobutanoate de méthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 3-chloro-4-fluoro-α,γ-dioxo-, methyl ester [ACD/Index Name]
Methyl 4-(3-chloro-4-fluorophenyl)-2,4-dioxobutanoate [ACD/IUPAC Name]
Methyl-4-(3-chlor-4-fluorphenyl)-2,4-dioxobutanoat [German] [ACD/IUPAC Name]
CHEMBL25656

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

Density: 1.4±0.0 g/cm3
Boiling Point: 394.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 64.5±0.0 kJ/mol
Flash Point: 174.9±0.0 °C
Index of Refraction: 1.519
Molar Refractivity: 56.9±0.0 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 14.82
ACD/KOC (pH 5.5): 221.23
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.75
Polar Surface Area: 60 Å2
Polarizability: 22.5±0.0 10-24cm3
Surface Tension: 44.9±0.0 dyne/cm
Molar Volume: 187.2±0.0 cm3

Click to predict properties on the Chemicalize site


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