ChemSpider 2D Image | Ethyl 5-carbamoyl-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxylate | C9H11F2N3O3

Ethyl 5-carbamoyl-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxylate

  • Molecular FormulaC9H11F2N3O3
  • Average mass247.199 Da
  • Monoisotopic mass247.076843 Da
  • ChemSpider ID58124270

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-(aminocarbonyl)-1-(2,2-difluoroethyl)-, ethyl ester [ACD/Index Name]
5-Carbamoyl-1-(2,2-difluoroéthyl)-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-carbamoyl-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-carbamoyl-1-(2,2-difluorethyl)-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 5-(aminocarbonyl)-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxylate
MFCD30377972

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

Density: 1.5±0.1 g/cm3
Boiling Point: 386.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 187.7±27.9 °C
Index of Refraction: 1.547
Molar Refractivity: 53.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.59
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.59
Polar Surface Area: 87 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 167.3±7.0 cm3

Click to predict properties on the Chemicalize site


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