ChemSpider 2D Image | Methyl (1S,6R)-4-[(4-chlorophenyl)amino]-6-methyl-2-oxo-3-cyclohexene-1-carboxylate | C15H16ClNO3

Methyl (1S,6R)-4-[(4-chlorophenyl)amino]-6-methyl-2-oxo-3-cyclohexene-1-carboxylate

  • Molecular FormulaC15H16ClNO3
  • Average mass293.745 Da
  • Monoisotopic mass293.081879 Da
  • ChemSpider ID23125312
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,6R)-4-[(4-Chlorophényl)amino]-6-méthyl-2-oxo-3-cyclohexène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
3-Cyclohexene-1-carboxylic acid, 4-[(4-chlorophenyl)amino]-6-methyl-2-oxo-, methyl ester, (1S,6R)- [ACD/Index Name]
Methyl (1S,6R)-4-[(4-chlorophenyl)amino]-6-methyl-2-oxo-3-cyclohexene-1-carboxylate [ACD/IUPAC Name]
methyl (1S,6R)-4-[(4-chlorophenyl)amino]-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
Methyl-(1S,6R)-4-[(4-chlorphenyl)amino]-6-methyl-2-oxo-3-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
(1S,6R)-4-(4-Chloro-phenylamino)-6-methyl-2-oxo-cyclohex-3-enecarboxylic acid methyl ester
4-(4-Chloro-phenylamino)-6-methyl-2-oxo-cyclohex-3-enecarboxylic acid methyl ester(ADD-196022)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 411.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 202.9±28.7 °C
Index of Refraction: 1.590
Molar Refractivity: 77.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.16
ACD/KOC (pH 5.5): 968.00
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.09
ACD/KOC (pH 7.4): 967.37
Polar Surface Area: 55 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 228.7±3.0 cm3

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