ChemSpider 2D Image | Benzyl 4-(3,5-dichloro-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C27H27Cl2NO4

Benzyl 4-(3,5-dichloro-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC27H27Cl2NO4
  • Average mass500.414 Da
  • Monoisotopic mass499.131714 Da
  • ChemSpider ID2347116

More details:

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

3-Quinolinecarboxylic acid, 4-(3,5-dichloro-2-methoxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, phenylmethyl ester [ACD/Index Name]
4-(3,5-Dichloro-2-méthoxyphényl)-2,7,7-triméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 4-(3,5-dichloro-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Benzyl-4-(3,5-dichlor-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]

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

BAS 00111596 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 609.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.4±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23390.37
ACD/KOC (pH 5.5): 46659.29
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23391.14
ACD/KOC (pH 7.4): 46660.83
Polar Surface Area: 65 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 378.4±5.0 cm3

Click to predict properties on the Chemicalize site


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