ChemSpider 2D Image | 2-(3-Chlorophenyl)-4-{(2-chlorophenyl)[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one | C27H21Cl3N4O2

2-(3-Chlorophenyl)-4-{(2-chlorophenyl)[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC27H21Cl3N4O2
  • Average mass539.840 Da
  • Monoisotopic mass538.072998 Da
  • ChemSpider ID10012641

More details:

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

2-(3-Chlorophenyl)-4-{(2-chlorophenyl)[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
2-(3-Chlorophényl)-4-{(2-chlorophényl)[1-(3-chlorophényl)-3-méthyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]méthyl}-5-méthyl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
2-(3-Chlorphenyl)-4-{(2-chlorphenyl)[1-(3-chlorphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 2-(3-chlorophenyl)-4-[(2-chlorophenyl)[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-1,2-dihydro-5-methyl- [ACD/Index Name]

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

AK-968/36944081 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 704.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 380.0±35.7 °C
Index of Refraction: 1.688
Molar Refractivity: 143.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 5.79
ACD/BCF (pH 5.5): 14891.84
ACD/KOC (pH 5.5): 33772.75
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14893.97
ACD/KOC (pH 7.4): 33777.57
Polar Surface Area: 65 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 375.9±7.0 cm3

Click to predict properties on the Chemicalize site


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