ChemSpider 2D Image | (2S)-1-{[(1R)-1-(2,4-Dichlorophenyl)ethyl]amino}-1-oxo-2-propanyl 2-chloro-4-nitrobenzoate | C18H15Cl3N2O5

(2S)-1-{[(1R)-1-(2,4-Dichlorophenyl)ethyl]amino}-1-oxo-2-propanyl 2-chloro-4-nitrobenzoate

  • Molecular FormulaC18H15Cl3N2O5
  • Average mass445.681 Da
  • Monoisotopic mass444.004669 Da
  • ChemSpider ID62647943

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-1-{[(1R)-1-(2,4-Dichlorophenyl)ethyl]amino}-1-oxo-2-propanyl 2-chloro-4-nitrobenzoate [ACD/IUPAC Name]
(2S)-1-{[(1R)-1-(2,4-Dichlorphenyl)ethyl]amino}-1-oxo-2-propanyl-2-chlor-4-nitrobenzoat [German] [ACD/IUPAC Name]
2-Chloro-4-nitrobenzoate de (2S)-1-{[(1R)-1-(2,4-dichlorophényl)éthyl]amino}-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-chloro-4-nitro-, (1S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 640.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.9±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3315.85
ACD/KOC (pH 5.5): 11524.88
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3315.84
ACD/KOC (pH 7.4): 11524.83
Polar Surface Area: 101 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 308.8±3.0 cm3

Click to predict properties on the Chemicalize site


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