ChemSpider 2D Image | Methyl N-(5-fluoro-2-nitrobenzyl)-3-methylvalinate | C14H19FN2O4

Methyl N-(5-fluoro-2-nitrobenzyl)-3-methylvalinate

  • Molecular FormulaC14H19FN2O4
  • Average mass298.310 Da
  • Monoisotopic mass298.132874 Da
  • ChemSpider ID29813728

More details:

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

Methyl N-(5-fluoro-2-nitrobenzyl)-3-methylvalinate [ACD/IUPAC Name]
Methyl-N-(5-fluor-2-nitrobenzyl)-3-methylvalinat [German] [ACD/IUPAC Name]
N-(5-Fluoro-2-nitrobenzyl)-3-méthylvalinate de méthyle [French] [ACD/IUPAC Name]
Valine, N-[(5-fluoro-2-nitrophenyl)methyl]-3-methyl-, methyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 371.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 178.5±26.5 °C
Index of Refraction: 1.515
Molar Refractivity: 75.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 46.62
ACD/KOC (pH 5.5): 478.67
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.83
ACD/KOC (pH 7.4): 747.79
Polar Surface Area: 84 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 250.1±3.0 cm3

Click to predict properties on the Chemicalize site


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