ChemSpider 2D Image | (1S,5R)-1-(3,4-Dichlorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one | C11H8Cl2O2

(1S,5R)-1-(3,4-Dichlorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one

  • Molecular FormulaC11H8Cl2O2
  • Average mass243.086 Da
  • Monoisotopic mass241.990128 Da
  • ChemSpider ID24741874

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5R)-1-(3,4-Dichlorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one [ACD/IUPAC Name]
(1S,5R)-1-(3,4-Dichlorophényl)-3-oxabicyclo[3.1.0]hexan-2-one [French] [ACD/IUPAC Name]
(1S,5R)-1-(3,4-Dichlorphenyl)-3-oxabicyclo[3.1.0]hexan-2-on [German] [ACD/IUPAC Name]
3-Oxabicyclo[3.1.0]hexan-2-one, 1-(3,4-dichlorophenyl)-, (1S,5R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 404.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 182.2±27.7 °C
Index of Refraction: 1.642
Molar Refractivity: 57.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.22
ACD/KOC (pH 5.5): 288.80
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.22
ACD/KOC (pH 7.4): 288.80
Polar Surface Area: 26 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 157.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement