ChemSpider 2D Image | 1-(5-Chloro-2-methylphenyl)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-4-(4-fluorophenyl)-1H-pyrrole-2,5-dione | C26H20ClFN2O2

1-(5-Chloro-2-methylphenyl)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-4-(4-fluorophenyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC26H20ClFN2O2
  • Average mass446.901 Da
  • Monoisotopic mass446.119720 Da
  • ChemSpider ID32243335

More details:

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

1-(5-Chlor-2-methylphenyl)-3-(3,4-dihydro-2(1H)-isochinolinyl)-4-(4-fluorphenyl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
1-(5-Chloro-2-méthylphényl)-3-(3,4-dihydro-2(1H)-isoquinoléinyl)-4-(4-fluorophényl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
1-(5-Chloro-2-methylphenyl)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-4-(4-fluorophenyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
1H-Pyrrole-2,5-dione, 1-(5-chloro-2-methylphenyl)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-4-(4-fluorophenyl)- [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: 601.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.6±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 120.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7178.60
ACD/KOC (pH 5.5): 20032.88
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7178.63
ACD/KOC (pH 7.4): 20032.97
Polar Surface Area: 41 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 323.8±3.0 cm3

Click to predict properties on the Chemicalize site


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