ChemSpider 2D Image | (3aR,12bR)-5-Chloro-2-methyl(3a-~3~H)-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole | C17H15TClNO

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

  • Molecular FormulaC17H15TClNO
  • Average mass287.776 Da
  • Monoisotopic mass287.100281 Da
  • ChemSpider ID8215282
  • 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(3a-3H)-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(3a-3H)-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(3a-3H)-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-3a-t-2-methyl-, (3aR,12bR)- [ACD/Index Name]

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

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:

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