ChemSpider 2D Image | (2Z)-3-[3,5-Bis(trifluoromethyl)phenyl]-3-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile | C20H10F6N2OS

(2Z)-3-[3,5-Bis(trifluoromethyl)phenyl]-3-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile

  • Molecular FormulaC20H10F6N2OS
  • Average mass440.362 Da
  • Monoisotopic mass440.041809 Da
  • ChemSpider ID125156740

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-[3,5-Bis(trifluormethyl)phenyl]-3-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-[3,5-Bis(trifluoromethyl)phenyl]-3-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile [ACD/IUPAC Name]
(2Z)-3-[3,5-Bis(trifluorométhyl)phényl]-3-hydroxy-2-(4-phényl-1,3-thiazol-2-yl)acrylonitrile [French] [ACD/IUPAC Name]
2-Thiazoleacetonitrile, α-[[3,5-bis(trifluoromethyl)phenyl]hydroxymethylene]-4-phenyl-, (αZ)- [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: 488.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 249.1±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2575.95
ACD/KOC (pH 5.5): 8015.32
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 69.01
ACD/KOC (pH 7.4): 214.74
Polar Surface Area: 85 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 301.8±3.0 cm3

Click to predict properties on the Chemicalize site


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