ChemSpider 2D Image | 2-[(4-Ethoxy-2-nitrophenyl)amino]-2-oxoethyl 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-pyridinecarboxylate | C21H20ClN5O6

2-[(4-Ethoxy-2-nitrophenyl)amino]-2-oxoethyl 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-pyridinecarboxylate

  • Molecular FormulaC21H20ClN5O6
  • Average mass473.866 Da
  • Monoisotopic mass473.110199 Da
  • ChemSpider ID32997734

More details:

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

2-[(4-Ethoxy-2-nitrophenyl)amino]-2-oxoethyl 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-pyridinecarboxylate [ACD/IUPAC Name]
2-[(4-Ethoxy-2-nitrophenyl)amino]-2-oxoethyl-3-chlor-6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-pyridincarboxylat [German] [ACD/IUPAC Name]
2-Pyridinecarboxylic acid, 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)-, 2-[(4-ethoxy-2-nitrophenyl)amino]-2-oxoethyl ester [ACD/Index Name]
3-Chloro-6-(3,5-diméthyl-1H-pyrazol-1-yl)-2-pyridinecarboxylate de 2-[(4-éthoxy-2-nitrophényl)amino]-2-oxoéthyle [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: 736.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.0±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 119.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 466.46
ACD/KOC (pH 5.5): 2831.01
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 466.05
ACD/KOC (pH 7.4): 2828.50
Polar Surface Area: 141 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 329.3±7.0 cm3

Click to predict properties on the Chemicalize site


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