ChemSpider 2D Image | (3aR,12bR)-5-Chloro-2-methyl(7,11-~3~H_2_)-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole | C17H14T2ClNO

(3aR,12bR)-5-Chloro-2-methyl(7,11-3H2)-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole

  • Molecular FormulaC17H14T2ClNO
  • Average mass289.784 Da
  • Monoisotopic mass289.108490 Da
  • ChemSpider ID8532292

  • 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-methyl(7,11-3H2)-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-methyl(7,11-3H2)-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole [ACD/IUPAC Name]
(3aR,12bR)-5-Chloro-2-méthyl(7,11-3H2)-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-5,9-t2, 11-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bR)- [ACD/Index Name]

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

Density:
Boiling Point: 357.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 170.2±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.76
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 4.52
ACD/KOC (pH 7.4): 26.54
Polar Surface Area: 12 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement