ChemSpider 2D Image | Methyl (2S)-2-[4-(2-chlorophenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methylpentanoate | C17H20ClNO4

Methyl (2S)-2-[4-(2-chlorophenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methylpentanoate

  • Molecular FormulaC17H20ClNO4
  • Average mass337.798 Da
  • Monoisotopic mass337.108093 Da
  • ChemSpider ID29366828

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[4-(2-Chlorophénoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-méthylpentanoate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-1-acetic acid, 4-(2-chlorophenoxy)-2,5-dihydro-α-(2-methylpropyl)-2-oxo-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S)-2-[4-(2-chlorophenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methylpentanoate [ACD/IUPAC Name]
Methyl-(2S)-2-[4-(2-chlorphenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methylpentanoat [German] [ACD/IUPAC Name]
(S)-2-[4-(2-chloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid methyl ester
(S)-methyl 2-(4-(2-chlorophenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylpentanoate
(S)-methyl2-(4-(2-chlorophenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylpentanoate
1191997-63-3 [RN]
methyl (S)-2-(4-(2-chlorophenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylpentanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 470.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.4±28.7 °C
Index of Refraction: 1.556
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 280.99
ACD/KOC (pH 5.5): 1969.62
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 280.99
ACD/KOC (pH 7.4): 1969.62
Polar Surface Area: 56 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 271.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement