ChemSpider 2D Image | Methyl 10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-carboxylate | C22H21Cl2NO2

Methyl 10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene-5-carboxylate

  • Molecular FormulaC22H21Cl2NO2
  • Average mass402.314 Da
  • Monoisotopic mass401.094940 Da
  • ChemSpider ID23645869

More details:

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

10-(3,4-Dichlorophényl)-9-azatétracyclo[10.2.1.02,11.03,8]pentadéca-3,5,7-triène-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
7,10-Methanophenanthridine-2-carboxylic acid, 6-(3,4-dichlorophenyl)-5,6,6a,7,8,9,10,10a-octahydro-, methyl ester [ACD/Index Name]
Methyl 10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene-5-carboxylate [ACD/IUPAC Name]
Methyl-10-(3,4-dichlorphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-trien-5-carboxylat [German] [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: 535.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.9±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 106.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33413.68
ACD/KOC (pH 5.5): 60224.90
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33422.45
ACD/KOC (pH 7.4): 60240.71
Polar Surface Area: 38 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 309.0±3.0 cm3

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