ChemSpider 2D Image | [5-(2-Chloro-8-methoxy-3-quinolinyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl](2-fluorophenyl)methanone | C27H21ClFN3O2

[5-(2-Chloro-8-methoxy-3-quinolinyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl](2-fluorophenyl)methanone

  • Molecular FormulaC27H21ClFN3O2
  • Average mass473.926 Da
  • Monoisotopic mass473.130646 Da
  • ChemSpider ID65093691

More details:

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

[5-(2-Chlor-8-methoxy-3-chinolinyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl](2-fluorphenyl)methanon [German] [ACD/IUPAC Name]
[5-(2-Chloro-8-méthoxy-3-quinoléinyl)-3-(4-méthylphényl)-4,5-dihydro-1H-pyrazol-1-yl](2-fluorophényl)méthanone [French] [ACD/IUPAC Name]
[5-(2-Chloro-8-methoxy-3-quinolinyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl](2-fluorophenyl)methanone [ACD/IUPAC Name]
Methanone, [5-(2-chloro-8-methoxy-3-quinolinyl)-4,5-dihydro-3-(4-methylphenyl)-1H-pyrazol-1-yl](2-fluorophenyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 622.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.0±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 130.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5157.50
ACD/KOC (pH 5.5): 15810.90
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5157.50
ACD/KOC (pH 7.4): 15810.90
Polar Surface Area: 55 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 358.7±7.0 cm3

Click to predict properties on the Chemicalize site


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