ChemSpider 2D Image | 1-(4-Chlorophenyl)-6-methyl-N-(2-nitrobenzyl)-4-oxo-N-(2,2,2-trifluoroethyl)-1,4-dihydro-3-pyridazinecarboxamide | C21H16ClF3N4O4

1-(4-Chlorophenyl)-6-methyl-N-(2-nitrobenzyl)-4-oxo-N-(2,2,2-trifluoroethyl)-1,4-dihydro-3-pyridazinecarboxamide

  • Molecular FormulaC21H16ClF3N4O4
  • Average mass480.824 Da
  • Monoisotopic mass480.081207 Da
  • ChemSpider ID22556920

More details:

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

1-(4-Chlorophenyl)-6-methyl-N-(2-nitrobenzyl)-4-oxo-N-(2,2,2-trifluoroethyl)-1,4-dihydro-3-pyridazinecarboxamide [ACD/IUPAC Name]
1-(4-Chlorophényl)-6-méthyl-N-(2-nitrobenzyl)-4-oxo-N-(2,2,2-trifluoroéthyl)-1,4-dihydro-3-pyridazinecarboxamide [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-6-methyl-N-(2-nitrobenzyl)-4-oxo-N-(2,2,2-trifluorethyl)-1,4-dihydro-3-pyridazincarboxamid [German] [ACD/IUPAC Name]
3-Pyridazinecarboxamide, 1-(4-chlorophenyl)-1,4-dihydro-6-methyl-N-[(2-nitrophenyl)methyl]-4-oxo-N-(2,2,2-trifluoroethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 298.8±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 114.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 353.87
ACD/KOC (pH 5.5): 2323.10
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 353.87
ACD/KOC (pH 7.4): 2323.10
Polar Surface Area: 99 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 333.5±7.0 cm3

Click to predict properties on the Chemicalize site


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