ChemSpider 2D Image | Ethyl 3-fluoro-4-phenylbenzoylformate | C16H13FO3

Ethyl 3-fluoro-4-phenylbenzoylformate

  • Molecular FormulaC16H13FO3
  • Average mass272.271 Da
  • Monoisotopic mass272.084869 Da
  • ChemSpider ID21396766

More details:

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

(2-Fluoro-4-biphénylyl)(oxo)acétate d'éthyle [French] [ACD/IUPAC Name]
[1,1'-Biphenyl]-4-acetic acid, 2-fluoro-α-oxo-, ethyl ester [ACD/Index Name]
951888-52-1 [RN]
ethyl (2-fluoro[1,1'-biphenyl]-4-yl)(oxo)acetate
Ethyl (2-fluoro-4-biphenylyl)(oxo)acetate [ACD/IUPAC Name]
Ethyl 3-fluoro-4-phenylbenzoylformate
Ethyl-(2-fluor-4-biphenylyl)(oxo)acetat [German] [ACD/IUPAC Name]
MFCD09801421 [MDL number]
Ethyl 2-(2-fluoro-[1,1'-biphenyl]-4-yl)-2-oxoacetate
ethyl 2-(3-fluoro-4-phenylphenyl)-2-oxoacetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 394.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 185.9±20.8 °C
Index of Refraction: 1.546
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 498.69
ACD/KOC (pH 5.5): 2969.69
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 498.69
ACD/KOC (pH 7.4): 2969.69
Polar Surface Area: 43 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 227.0±3.0 cm3

Click to predict properties on the Chemicalize site


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