ChemSpider 2D Image | (1S)-3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione | C13H11Cl2NO2

(1S)-3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

  • Molecular FormulaC13H11Cl2NO2
  • Average mass284.138 Da
  • Monoisotopic mass283.016693 Da
  • ChemSpider ID60958613

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione [ACD/IUPAC Name]
(1S)-3-(3,5-Dichlorophényl)-1,5-diméthyl-3-azabicyclo[3.1.0]hexane-2,4-dione [French] [ACD/IUPAC Name]
(1S)-3-(3,5-Dichlorphenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2,4-dion [German] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-(3,5-dichlorophenyl)-1,5-dimethyl-, (1S)- [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: 477.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 242.8±25.9 °C
Index of Refraction: 1.643
Molar Refractivity: 68.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.99
ACD/KOC (pH 5.5): 892.49
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.99
ACD/KOC (pH 7.4): 892.49
Polar Surface Area: 37 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 189.1±3.0 cm3

Click to predict properties on the Chemicalize site


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