ChemSpider 2D Image | 7-{[2-(2-Thienyl)-1,3-thiazol-4-yl]methoxy}-4-(trifluoromethyl)-2H-chromen-2-one | C18H10F3NO3S2

7-{[2-(2-Thienyl)-1,3-thiazol-4-yl]methoxy}-4-(trifluoromethyl)-2H-chromen-2-one

  • Molecular FormulaC18H10F3NO3S2
  • Average mass409.402 Da
  • Monoisotopic mass409.005432 Da
  • ChemSpider ID30612932

More details:

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

2H-1-Benzopyran-2-one, 7-[[2-(2-thienyl)-4-thiazolyl]methoxy]-4-(trifluoromethyl)- [ACD/Index Name]
7-{[2-(2-Thienyl)-1,3-thiazol-4-yl]methoxy}-4-(trifluormethyl)-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-{[2-(2-Thienyl)-1,3-thiazol-4-yl]methoxy}-4-(trifluoromethyl)-2H-chromen-2-one [ACD/IUPAC Name]
7-{[2-(2-Thiényl)-1,3-thiazol-4-yl]méthoxy}-4-(trifluorométhyl)-2H-chromén-2-one [French] [ACD/IUPAC 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: 535.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.9±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1768.57
ACD/KOC (pH 5.5): 7349.27
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1768.59
ACD/KOC (pH 7.4): 7349.37
Polar Surface Area: 105 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 270.3±3.0 cm3

Click to predict properties on the Chemicalize site


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