ChemSpider 2D Image | Ethyl 5-fluoro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate | C12H10FN3O4

Ethyl 5-fluoro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC12H10FN3O4
  • Average mass279.224 Da
  • Monoisotopic mass279.065521 Da
  • ChemSpider ID24745944

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-fluoro-1-(4-nitrophenyl)-, ethyl ester [ACD/Index Name]
5-Fluoro-1-(4-nitrophényl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-fluoro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-fluor-1-(4-nitrophenyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
1269291-84-0 [RN]

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

CCRIS 4693 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 422.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 209.6±27.3 °C
Index of Refraction: 1.605
Molar Refractivity: 67.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.44
ACD/KOC (pH 5.5): 542.98
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.44
ACD/KOC (pH 7.4): 542.98
Polar Surface Area: 90 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 195.5±7.0 cm3

Click to predict properties on the Chemicalize site


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