ChemSpider 2D Image | Ethyl 3-(4-bromo-3-fluorophenyl)-3-oxopropanoate | C11H10BrFO3

Ethyl 3-(4-bromo-3-fluorophenyl)-3-oxopropanoate

  • Molecular FormulaC11H10BrFO3
  • Average mass289.098 Da
  • Monoisotopic mass287.979736 Da
  • ChemSpider ID26547548

More details:

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

1260798-40-0 [RN]
3-(4-Bromo-3-fluorophényl)-3-oxopropanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-bromo-3-fluoro-β-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-(4-bromo-3-fluorophenyl)-3-oxopropanoate [ACD/IUPAC Name]
Ethyl-3-(4-brom-3-fluorphenyl)-3-oxopropanoat [German] [ACD/IUPAC Name]
MFCD11976689

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

Density: 1.5±0.1 g/cm3
Boiling Point: 335.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 156.7±25.1 °C
Index of Refraction: 1.526
Molar Refractivity: 59.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.83
ACD/KOC (pH 5.5): 658.73
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.60
ACD/KOC (pH 7.4): 656.22
Polar Surface Area: 43 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 194.4±3.0 cm3

Click to predict properties on the Chemicalize site


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