Found 121 results

Search term: MF = 'C_{26}H_{19}F_{3}N_{2}O_{4}S'
ChemSpider 2D Image | (2E)-2-{[3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione | C26H19F3N2O4S

(2E)-2-{[3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione

  • Molecular FormulaC26H19F3N2O4S
  • Average mass512.500 Da
  • Monoisotopic mass512.101746 Da
  • ChemSpider ID4865898

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{[3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylen}-4,4,4-trifluor-1-(2-thienyl)-1,3-butandion [German] [ACD/IUPAC Name]
(2E)-2-{[3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione [ACD/IUPAC Name]
(2E)-2-{[3-(3,4-Diméthoxyphényl)-1-phényl-1H-pyrazol-4-yl]méthylène}-4,4,4-trifluoro-1-(2-thiényl)-1,3-butanedione [French] [ACD/IUPAC Name]
1,3-Butanedione, 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-4,4,4-trifluoro-1-(2-thienyl)-, (2E)- [ACD/Index 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: 610.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.3±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.49
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8215.80
ACD/KOC (pH 5.5): 22064.63
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8215.80
ACD/KOC (pH 7.4): 22064.63
Polar Surface Area: 99 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 386.4±7.0 cm3

Click to predict properties on the Chemicalize site


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