ChemSpider 2D Image | Cyanomethyl 5-(4-fluorophenyl)-2-furoate | C13H8FNO3

Cyanomethyl 5-(4-fluorophenyl)-2-furoate

  • Molecular FormulaC13H8FNO3
  • Average mass245.206 Da
  • Monoisotopic mass245.048828 Da
  • ChemSpider ID30581540

More details:

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

2-Furancarboxylic acid, 5-(4-fluorophenyl)-, cyanomethyl ester [ACD/Index Name]
5-(4-Fluorophényl)-2-furoate de cyanométhyle [French] [ACD/IUPAC Name]
Cyanmethyl-5-(4-fluorphenyl)-2-furoat [German] [ACD/IUPAC Name]
Cyanomethyl 5-(4-fluorophenyl)-2-furoate [ACD/IUPAC Name]
CYANOMETHYL 5-(4-FLUOROPHENYL)FURAN-2-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 447.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.3±28.7 °C
Index of Refraction: 1.540
Molar Refractivity: 59.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.67
ACD/KOC (pH 5.5): 458.47
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.67
ACD/KOC (pH 7.4): 458.47
Polar Surface Area: 63 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 189.5±3.0 cm3

Click to predict properties on the Chemicalize site


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