Found 3 results

Search term: YXAGTBGHRQGFLR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,4S,5S)-5-(2-Bromoethyl)bicyclo[2.2.1]hept-2-ene | C9H13Br

(1S,4S,5S)-5-(2-Bromoethyl)bicyclo[2.2.1]hept-2-ene

  • Molecular FormulaC9H13Br
  • Average mass201.104 Da
  • Monoisotopic mass200.020050 Da
  • ChemSpider ID61426791

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,4S,5S)-5-(2-Bromethyl)bicyclo[2.2.1]hept-2-en [German] [ACD/IUPAC Name]
(1S,4S,5S)-5-(2-Bromoethyl)bicyclo[2.2.1]hept-2-ene [ACD/IUPAC Name]
(1S,4S,5S)-5-(2-Bromoéthyl)bicyclo[2.2.1]hept-2-ène [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-2-ene, 5-(2-bromoethyl)-, (1S,4S,5S)- [ACD/Index Name]
94417-50-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 229.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.7±3.0 kJ/mol
Flash Point: 89.4±10.2 °C
Index of Refraction: 1.542
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 354.57
ACD/KOC (pH 5.5): 2326.40
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 354.57
ACD/KOC (pH 7.4): 2326.40
Polar Surface Area: 0 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 149.3±3.0 cm3

Click to predict properties on the Chemicalize site


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