ChemSpider 2D Image | 4-(4-Chlorobenzyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C17H15ClN2O

4-(4-Chlorobenzyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC17H15ClN2O
  • Average mass298.767 Da
  • Monoisotopic mass298.087280 Da
  • ChemSpider ID30656626

More details:

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

3H-Pyrazol-3-one, 4-[(4-chlorophenyl)methyl]-1,2-dihydro-5-methyl-2-phenyl- [ACD/Index Name]
4-(4-Chlorbenzyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-5-méthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC 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: 433.2±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.8±29.3 °C
Index of Refraction: 1.627
Molar Refractivity: 83.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 615.47
ACD/KOC (pH 5.5): 3452.35
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 615.48
ACD/KOC (pH 7.4): 3452.40
Polar Surface Area: 32 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 236.0±3.0 cm3

Click to predict properties on the Chemicalize site


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