ChemSpider 2D Image | 2-(4-Chloro-5-{[(E)-2-ethoxy-2-hydroxyvinyl]oxy}-2-fluorophenyl)-4-methyl-5-(trifluoromethyl)-3(2H)-pyridazinone | C16H13ClF4N2O4

2-(4-Chloro-5-{[(E)-2-ethoxy-2-hydroxyvinyl]oxy}-2-fluorophenyl)-4-methyl-5-(trifluoromethyl)-3(2H)-pyridazinone

  • Molecular FormulaC16H13ClF4N2O4
  • Average mass408.732 Da
  • Monoisotopic mass408.049988 Da
  • ChemSpider ID95608249

More details:

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

2-(4-Chlor-5-{[(E)-2-ethoxy-2-hydroxyvinyl]oxy}-2-fluorphenyl)-4-methyl-5-(trifluormethyl)-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
2-(4-Chloro-5-{[(E)-2-ethoxy-2-hydroxyvinyl]oxy}-2-fluorophenyl)-4-methyl-5-(trifluoromethyl)-3(2H)-pyridazinone [ACD/IUPAC Name]
2-(4-Chloro-5-{[(E)-2-éthoxy-2-hydroxyvinyl]oxy}-2-fluorophényl)-4-méthyl-5-(trifluorométhyl)-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
3(2H)-Pyridazinone, 2-[4-chloro-5-[[(E)-2-ethoxy-2-hydroxyethenyl]oxy]-2-fluorophenyl]-4-methyl-5-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 437.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 218.2±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 86.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 269.97
ACD/KOC (pH 5.5): 1913.98
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.83
ACD/KOC (pH 7.4): 1905.87
Polar Surface Area: 71 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 37.7±7.0 dyne/cm
Molar Volume: 280.7±7.0 cm3

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