ChemSpider 2D Image | 1-(1-Azabicyclo[2.2.1]hept-3-yl)-2-bromoethanone | C8H12BrNO

1-(1-Azabicyclo[2.2.1]hept-3-yl)-2-bromoethanone

  • Molecular FormulaC8H12BrNO
  • Average mass218.091 Da
  • Monoisotopic mass217.010223 Da
  • ChemSpider ID24186811

More details:

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

1-(1-Azabicyclo[2.2.1]hept-3-yl)-2-bromethanon [German] [ACD/IUPAC Name]
1-(1-Azabicyclo[2.2.1]hept-3-yl)-2-bromoethanone [ACD/IUPAC Name]
1-(1-Azabicyclo[2.2.1]hept-3-yl)-2-bromoéthanone [French] [ACD/IUPAC Name]
752169-32-7 [RN]
Ethanone, 1-(1-azabicyclo[2.2.1]hept-3-yl)-2-bromo- [ACD/Index Name]
1-(1-azabicyclo[2.2.1]heptan-3-yl)-2-bromoethanone
1-{1-AZABICYCLO[2.2.1]HEPTAN-3-YL}-2-BROMOETHAN-1-ONE
1-{1-AZABICYCLO[2.2.1]HEPTAN-3-YL}-2-BROMOETHANONE
780004-90-2 [RN]
Ethanone, 1-(1-azabicyclo[2.2.1]hept-3-yl)-2-bromo-, exo- (9CI)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 278.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.7±3.0 kJ/mol
Flash Point: 121.9±21.8 °C
Index of Refraction: 1.572
Molar Refractivity: 46.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.42
Polar Surface Area: 20 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 141.9±5.0 cm3

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