ChemSpider 2D Image | (6S,10bS)-9-Chloro-6-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline | C18H17Cl2N

(6S,10bS)-9-Chloro-6-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

  • Molecular FormulaC18H17Cl2N
  • Average mass318.240 Da
  • Monoisotopic mass317.073792 Da
  • ChemSpider ID23130297

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,10bS)-9-Chlor-6-(4-chlorphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isochinolin [German] [ACD/IUPAC Name]
(6S,10bS)-9-Chloro-6-(4-chlorophényl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoléine [French] [ACD/IUPAC Name]
(6S,10bS)-9-Chloro-6-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline [ACD/IUPAC Name]
Pyrrolo[2,1-a]isoquinoline, 9-chloro-6-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydro-, (6S,10bS)- [ACD/Index Name]
9-Chloro-6-(4-chloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
9-Chloro-6-(4-chloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline;C7H8O3S

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

Density: 1.3±0.1 g/cm3
Boiling Point: 421.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.5±28.7 °C
Index of Refraction: 1.660
Molar Refractivity: 88.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 47.45
ACD/KOC (pH 5.5): 143.00
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2120.78
ACD/KOC (pH 7.4): 6391.16
Polar Surface Area: 3 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 240.2±5.0 cm3

Click to predict properties on the Chemicalize site


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