ChemSpider 2D Image | (9R,11S)-5-Chloro-11-(1-naphthyl)-12-oxa-1-azatricyclo[7.2.1.0~2,7~]dodeca-2,4,6-triene | C20H16ClNO

(9R,11S)-5-Chloro-11-(1-naphthyl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

  • Molecular FormulaC20H16ClNO
  • Average mass321.800 Da
  • Monoisotopic mass321.092041 Da
  • ChemSpider ID30654127

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9R,11S)-5-Chlor-11-(1-naphthyl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien [German] [ACD/IUPAC Name]
(9R,11S)-5-Chloro-11-(1-naphthyl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene [ACD/IUPAC Name]
(9R,11S)-5-Chloro-11-(1-naphtyl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodéca-2,4,6-triène [French] [ACD/IUPAC Name]
1,4-Epoxy-1H-1-benzazepine, 7-chloro-2,3,4,5-tetrahydro-2-(1-naphthalenyl)-, (2S,4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 498.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.3±31.5 °C
Index of Refraction: 1.726
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3544.61
ACD/KOC (pH 5.5): 12088.33
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3544.85
ACD/KOC (pH 7.4): 12089.17
Polar Surface Area: 12 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 236.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement