ChemSpider 2D Image | (2aR,4aS,9aS)-7-Chloro-1,2,2a,3,4,4a-hexahydrocyclobuta[4',5']pyrrolo[3',4':4,5]furo[2,3-b]pyridine | C11H11ClN2O

(2aR,4aS,9aS)-7-Chloro-1,2,2a,3,4,4a-hexahydrocyclobuta[4',5']pyrrolo[3',4':4,5]furo[2,3-b]pyridine

  • Molecular FormulaC11H11ClN2O
  • Average mass222.671 Da
  • Monoisotopic mass222.055984 Da
  • ChemSpider ID90664055

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2aR,4aS,9aS)-7-Chlor-1,2,2a,3,4,4a-hexahydrocyclobuta[4',5']pyrrolo[3',4':4,5]furo[2,3-b]pyridin [German] [ACD/IUPAC Name]
(2aR,4aS,9aS)-7-Chloro-1,2,2a,3,4,4a-hexahydrocyclobuta[4',5']pyrrolo[3',4':4,5]furo[2,3-b]pyridine [ACD/IUPAC Name]
(2aR,4aS,9aS)-7-Chloro-1,2,2a,3,4,4a-hexahydrocyclobuta[4',5']pyrrolo[3',4':4,5]furo[2,3-b]pyridine [French] [ACD/IUPAC Name]
Cyclobuta[4',5']pyrrolo[3',4':4,5]furo[2,3-b]pyridine, 7-chloro-1,2,2a,3,4,4a-hexahydro-, (2aR,4aS,9aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 358.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 170.9±27.9 °C
Index of Refraction: 1.667
Molar Refractivity: 56.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.95
ACD/KOC (pH 7.4): 37.14
Polar Surface Area: 34 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 151.5±5.0 cm3

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