ChemSpider 2D Image | Methyl N-(3-chloro-4-fluorophenyl)-N-[(~2~H_5_)phenylcarbonyl]alaninate | C17H10D5ClFNO3

Methyl N-(3-chloro-4-fluorophenyl)-N-[(2H5)phenylcarbonyl]alaninate

  • Molecular FormulaC17H10D5ClFNO3
  • Average mass340.788 Da
  • Monoisotopic mass340.103821 Da
  • ChemSpider ID58785355

  • Non-standard isotope - Non-standard isotope

More details:

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

Alanine, N-(3-chloro-4-fluorophenyl)-N-(phenyl-d5-carbonyl)-, methyl ester [ACD/Index Name]
Methyl N-(3-chloro-4-fluorophenyl)-N-[(2H5)phenylcarbonyl]alaninate [ACD/IUPAC Name]
Methyl-N-(3-chlor-4-fluorphenyl)-N-[(2H5)phenylcarbonyl]alaninat [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-N-[(2H5)phénylcarbonyl]alaninate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 459.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.7±28.7 °C
Index of Refraction: 1.586
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 288.25
ACD/KOC (pH 5.5): 2005.90
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 288.25
ACD/KOC (pH 7.4): 2005.90
Polar Surface Area: 47 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 256.4±3.0 cm3

Click to predict properties on the Chemicalize site


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