ChemSpider 2D Image | (2R)-2-(3-Bromophenyl)-1-(4-morpholinyl)-4-phenyl-1,4-butanedione | C20H20BrNO3

(2R)-2-(3-Bromophenyl)-1-(4-morpholinyl)-4-phenyl-1,4-butanedione

  • Molecular FormulaC20H20BrNO3
  • Average mass402.282 Da
  • Monoisotopic mass401.062653 Da
  • ChemSpider ID30658614

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(3-Bromophenyl)-1-(4-morpholinyl)-4-phenyl-1,4-butanedione [ACD/IUPAC Name]
(2R)-2-(3-Bromophényl)-1-(4-morpholinyl)-4-phényl-1,4-butanedione [French] [ACD/IUPAC Name]
(2R)-2-(3-Bromphenyl)-1-(4-morpholinyl)-4-phenyl-1,4-butandion [German] [ACD/IUPAC Name]
1,4-Butanedione, 2-(3-bromophenyl)-1-(4-morpholinyl)-4-phenyl-, (2R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 580.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.7±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 99.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 633.57
ACD/KOC (pH 5.5): 3524.73
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 633.57
ACD/KOC (pH 7.4): 3524.73
Polar Surface Area: 47 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 289.9±3.0 cm3

Click to predict properties on the Chemicalize site


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