ChemSpider 2D Image | 2-{[2-(Difluoromethoxy)phenyl]amino}-2-oxoethyl 1-benzyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylate | C21H18ClF2N3O4

2-{[2-(Difluoromethoxy)phenyl]amino}-2-oxoethyl 1-benzyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC21H18ClF2N3O4
  • Average mass449.835 Da
  • Monoisotopic mass449.095398 Da
  • ChemSpider ID32875540

More details:

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

1-Benzyl-5-chloro-3-méthyl-1H-pyrazole-4-carboxylate de 2-{[2-(difluorométhoxy)phényl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 5-chloro-3-methyl-1-(phenylmethyl)-, 2-[[2-(difluoromethoxy)phenyl]amino]-2-oxoethyl ester [ACD/Index Name]
2-{[2-(Difluormethoxy)phenyl]amino}-2-oxoethyl-1-benzyl-5-chlor-3-methyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
2-{[2-(Difluoromethoxy)phenyl]amino}-2-oxoethyl 1-benzyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC 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: 623.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.8±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 110.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2185.82
ACD/KOC (pH 5.5): 8552.47
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2185.65
ACD/KOC (pH 7.4): 8551.82
Polar Surface Area: 82 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 326.9±7.0 cm3

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