ChemSpider 2D Image | Methyl 3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-3-oxopropanoate | C9H9F3N2O3

Methyl 3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-3-oxopropanoate

  • Molecular FormulaC9H9F3N2O3
  • Average mass250.175 Da
  • Monoisotopic mass250.056534 Da
  • ChemSpider ID26496762

More details:

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

1229625-50-6 [RN]
1H-Pyrazole-5-propanoic acid, 1-methyl-β-oxo-3-(trifluoromethyl)-, methyl ester [ACD/Index Name]
3-[1-Méthyl-3-(trifluorométhyl)-1H-pyrazol-5-yl]-3-oxopropanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-3-oxopropanoate [ACD/IUPAC Name]
Methyl-3-[1-methyl-3-(trifluormethyl)-1H-pyrazol-5-yl]-3-oxopropanoat [German] [ACD/IUPAC Name]
3-(2-Methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-3-oxo-propionic acid methyl ester
Methyl 3-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-oxopropanoate
methyl 3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-oxopropanoate
MFCD15143185 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 274.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.3±3.0 kJ/mol
Flash Point: 120.0±25.9 °C
Index of Refraction: 1.489
Molar Refractivity: 51.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.59
ACD/KOC (pH 5.5): 68.74
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.46
ACD/KOC (pH 7.4): 65.27
Polar Surface Area: 61 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 34.7±7.0 dyne/cm
Molar Volume: 177.9±7.0 cm3

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