ChemSpider 2D Image | 2-{4-Chloro-3-[(3,4-dichlorophenyl)carbamoyl]-5-isopropyl-1H-pyrazol-1-yl}ethyl acetate | C17H18Cl3N3O3

2-{4-Chloro-3-[(3,4-dichlorophenyl)carbamoyl]-5-isopropyl-1H-pyrazol-1-yl}ethyl acetate

  • Molecular FormulaC17H18Cl3N3O3
  • Average mass418.702 Da
  • Monoisotopic mass417.041382 Da
  • ChemSpider ID67517710

More details:

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

1H-Pyrazole-3-carboxamide, 1-[2-(acetyloxy)ethyl]-4-chloro-N-(3,4-dichlorophenyl)-5-(1-methylethyl)- [ACD/Index Name]
2-{4-Chlor-3-[(3,4-dichlorphenyl)carbamoyl]-5-isopropyl-1H-pyrazol-1-yl}ethyl-acetat [German] [ACD/IUPAC Name]
2-{4-Chloro-3-[(3,4-dichlorophenyl)carbamoyl]-5-isopropyl-1H-pyrazol-1-yl}ethyl acetate [ACD/IUPAC Name]
Acétate de 2-{4-chloro-3-[(3,4-dichlorophényl)carbamoyl]-5-isopropyl-1H-pyrazol-1-yl}éthyle [French] [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: 479.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 243.8±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 102.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1037.41
ACD/KOC (pH 5.5): 5016.46
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1024.44
ACD/KOC (pH 7.4): 4953.75
Polar Surface Area: 73 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 295.8±7.0 cm3

Click to predict properties on the Chemicalize site


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