Found 21 results

Search term: MF = 'C_{8}H_{13}Br_{2}NO'
ChemSpider 2D Image | 2-[(1S,6S)-7,7-Dibromo-3-azabicyclo[4.1.0]hept-3-yl]ethanol | C8H13Br2NO

2-[(1S,6S)-7,7-Dibromo-3-azabicyclo[4.1.0]hept-3-yl]ethanol

  • Molecular FormulaC8H13Br2NO
  • Average mass299.003 Da
  • Monoisotopic mass296.936371 Da
  • ChemSpider ID61228450

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(1S,6S)-7,7-Dibrom-3-azabicyclo[4.1.0]hept-3-yl]ethanol [German] [ACD/IUPAC Name]
2-[(1S,6S)-7,7-Dibromo-3-azabicyclo[4.1.0]hept-3-yl]ethanol [ACD/IUPAC Name]
2-[(1S,6S)-7,7-Dibromo-3-azabicyclo[4.1.0]hept-3-yl]éthanol [French] [ACD/IUPAC Name]
3-Azabicyclo[4.1.0]heptane-3-ethanol, 7,7-dibromo-, (1S,6S)- [ACD/Index Name]
1849547-49-4 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 330.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.4±6.0 kJ/mol
Flash Point: 153.9±26.5 °C
Index of Refraction: 1.619
Molar Refractivity: 55.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.59
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.00
ACD/KOC (pH 7.4): 162.76
Polar Surface Area: 23 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 158.5±3.0 cm3

Click to predict properties on the Chemicalize site


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