Found 87 results

Search term: MF = 'C_{13}H_{9}F_{5}N_{2}O_{2}'
ChemSpider 2D Image | 2-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]ethyl 2,5-difluorobenzoate | C13H9F5N2O2

2-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]ethyl 2,5-difluorobenzoate

  • Molecular FormulaC13H9F5N2O2
  • Average mass320.215 Da
  • Monoisotopic mass320.058411 Da
  • ChemSpider ID31647477

More details:

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

2,5-Difluorobenzoate de 2-[3-(trifluorométhyl)-1H-pyrazol-4-yl]éthyle [French] [ACD/IUPAC Name]
2-[3-(Trifluormethyl)-1H-pyrazol-4-yl]ethyl-2,5-difluorbenzoat [German] [ACD/IUPAC Name]
2-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]ethyl 2,5-difluorobenzoate [ACD/IUPAC Name]
Benzoic acid, 2,5-difluoro-, 2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 425.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.4±28.7 °C
Index of Refraction: 1.505
Molar Refractivity: 64.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 187.97
ACD/KOC (pH 5.5): 1477.06
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 187.88
ACD/KOC (pH 7.4): 1476.39
Polar Surface Area: 55 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 218.0±3.0 cm3

Click to predict properties on the Chemicalize site


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