ChemSpider 2D Image | 1-[(1S,2R,3R,4R)-3-(4-Chlorophenyl)bicyclo[2.2.1]hept-5-en-2-yl]ethanone | C15H15ClO

1-[(1S,2R,3R,4R)-3-(4-Chlorophenyl)bicyclo[2.2.1]hept-5-en-2-yl]ethanone

  • Molecular FormulaC15H15ClO
  • Average mass246.732 Da
  • Monoisotopic mass246.081146 Da
  • ChemSpider ID30658632

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(1S,2R,3R,4R)-3-(4-Chlorophenyl)bicyclo[2.2.1]hept-5-en-2-yl]ethanone [ACD/IUPAC Name]
1-[(1S,2R,3R,4R)-3-(4-Chlorophényl)bicyclo[2.2.1]hept-5-én-2-yl]éthanone [French] [ACD/IUPAC Name]
1-[(1S,2R,3R,4R)-3-(4-Chlorphenyl)bicyclo[2.2.1]hept-5-en-2-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[(1S,2R,3R,4R)-3-(4-chlorophenyl)bicyclo[2.2.1]hept-5-en-2-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 347.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 199.2±19.0 °C
Index of Refraction: 1.580
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 237.50
ACD/KOC (pH 5.5): 1746.26
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 237.50
ACD/KOC (pH 7.4): 1746.26
Polar Surface Area: 17 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 205.9±3.0 cm3

Click to predict properties on the Chemicalize site


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