ChemSpider 2D Image | (3aR,12bR)-5-Chloro-2-(~13~C,~2~H_3_)methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole | C1613CH13D3ClNO

(3aR,12bR)-5-Chloro-2-(13C,2H3)methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole

  • Molecular FormulaC1613CH13D3ClNO
  • Average mass289.779 Da
  • Monoisotopic mass289.114227 Da
  • ChemSpider ID48059623
  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3aR,12bR)-5-Chlor-2-(13C,2H3)methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol [German] [ACD/IUPAC Name]
(3aR,12bR)-5-Chloro-2-(13C,2H3)methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole [ACD/IUPAC Name]
(3aR,12bR)-5-Chloro-2-(13C,2H3)méthyl-2,3,3a,12b-tétrahydro-1H-dibenzo[2,3:6,7]oxépino[4,5-c]pyrrole [French] [ACD/IUPAC Name]
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-2-(methyl-13C-d3)-, (3aR,12bR)- [ACD/Index Name]
1217729-73-1 [RN]
Asenapine-13C,d3

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 80.5±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 232.1±3.0 cm3

Click to predict properties on the Chemicalize site






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