ChemSpider 2D Image | 4-[(2,4-Dichlorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C27H20Cl2N2O4

4-[(2,4-Dichlorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC27H20Cl2N2O4
  • Average mass507.365 Da
  • Monoisotopic mass506.080017 Da
  • ChemSpider ID12546101

More details:

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

3H-Pyrazol-3-one, 4-[(2,4-dichlorophenyl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-[(2,4-Dichlorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-[(2,4-Dichlorophényl)(4-hydroxy-2-oxo-2H-chromén-3-yl)méthyl]-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
4-[(2,4-Dichlorphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
3-[(2,4-dichlorophenyl)(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))methyl]-4-hydroxychromen-2-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 672.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.4±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 465.79
ACD/KOC (pH 5.5): 1431.88
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 8.03
ACD/KOC (pH 7.4): 24.70
Polar Surface Area: 70 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 346.4±3.0 cm3

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