Found 22 results

Search term: MF = 'C_{20}H_{19}Br_{2}NO_{2}'
ChemSpider 2D Image | 2-{[(1R,4R)-2-Benzyl-7-bromo-2-azabicyclo[2.2.1]hept-6-yl]oxy}-5-bromobenzaldehyde | C20H19Br2NO2

2-{[(1R,4R)-2-Benzyl-7-bromo-2-azabicyclo[2.2.1]hept-6-yl]oxy}-5-bromobenzaldehyde

  • Molecular FormulaC20H19Br2NO2
  • Average mass465.178 Da
  • Monoisotopic mass462.978241 Da
  • ChemSpider ID29366443

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-{[(1R,4R)-2-Benzyl-7-brom-2-azabicyclo[2.2.1]hept-6-yl]oxy}-5-brombenzaldehyd [German] [ACD/IUPAC Name]
2-{[(1R,4R)-2-Benzyl-7-bromo-2-azabicyclo[2.2.1]hept-6-yl]oxy}-5-bromobenzaldehyde [ACD/IUPAC Name]
2-{[(1R,4R)-2-Benzyl-7-bromo-2-azabicyclo[2.2.1]hept-6-yl]oxy}-5-bromobenzaldéhyde [French] [ACD/IUPAC Name]
295787-41-6 [RN]
Benzaldehyde, 5-bromo-2-[[(1R,4R)-7-bromo-2-(phenylmethyl)-2-azabicyclo[2.2.1]hept-6-yl]oxy]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 532.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.1±30.1 °C
Index of Refraction: 1.670
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 335.97
ACD/KOC (pH 5.5): 1430.78
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1547.60
ACD/KOC (pH 7.4): 6590.65
Polar Surface Area: 30 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 286.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement