ChemSpider 2D Image | (3S)-1-(4-Bromophenyl)-3-[(3S)-2-oxo-3-phenyl-2,3-dihydro-1-benzofuran-3-yl]-2,5-pyrrolidinedione | C24H16BrNO4

(3S)-1-(4-Bromophenyl)-3-[(3S)-2-oxo-3-phenyl-2,3-dihydro-1-benzofuran-3-yl]-2,5-pyrrolidinedione

  • Molecular FormulaC24H16BrNO4
  • Average mass462.292 Da
  • Monoisotopic mass461.026276 Da
  • ChemSpider ID30659325

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-1-(4-Bromophenyl)-3-[(3S)-2-oxo-3-phenyl-2,3-dihydro-1-benzofuran-3-yl]-2,5-pyrrolidinedione [ACD/IUPAC Name]
(3S)-1-(4-Bromophényl)-3-[(3S)-2-oxo-3-phényl-2,3-dihydro-1-benzofuran-3-yl]-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
(3S)-1-(4-Bromphenyl)-3-[(3S)-2-oxo-3-phenyl-2,3-dihydro-1-benzofuran-3-yl]-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 1-(4-bromophenyl)-3-[(3S)-2,3-dihydro-2-oxo-3-phenyl-3-benzofuranyl]-, (3S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 659.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.7±31.5 °C
Index of Refraction: 1.685
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 673.67
ACD/KOC (pH 5.5): 3683.03
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 673.67
ACD/KOC (pH 7.4): 3683.03
Polar Surface Area: 64 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 295.5±3.0 cm3

Click to predict properties on the Chemicalize site


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