ChemSpider 2D Image | Ethyl (3,5-diethyl-4-nitro-1H-pyrazol-1-yl)(fluoro)acetate | C11H16FN3O4

Ethyl (3,5-diethyl-4-nitro-1H-pyrazol-1-yl)(fluoro)acetate

  • Molecular FormulaC11H16FN3O4
  • Average mass273.261 Da
  • Monoisotopic mass273.112488 Da
  • ChemSpider ID71661738

More details:

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

(3,5-Diéthyl-4-nitro-1H-pyrazol-1-yl)(fluoro)acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 3,5-diethyl-α-fluoro-4-nitro-, ethyl ester [ACD/Index Name]
Ethyl (3,5-diethyl-4-nitro-1H-pyrazol-1-yl)(fluoro)acetate [ACD/IUPAC Name]
Ethyl-(3,5-diethyl-4-nitro-1H-pyrazol-1-yl)(fluor)acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 357.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 170.1±27.9 °C
Index of Refraction: 1.542
Molar Refractivity: 64.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.98
ACD/KOC (pH 5.5): 415.70
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.98
ACD/KOC (pH 7.4): 415.70
Polar Surface Area: 90 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 206.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement