Found 21 results

Search term: MF = 'C_{16}H_{11}F_{3}O_{4}S'
ChemSpider 2D Image | 6,7-Dimethoxy-3-(3-thienyl)-4-(trifluoromethyl)-1H-isochromen-1-one | C16H11F3O4S

6,7-Dimethoxy-3-(3-thienyl)-4-(trifluoromethyl)-1H-isochromen-1-one

  • Molecular FormulaC16H11F3O4S
  • Average mass356.316 Da
  • Monoisotopic mass356.033020 Da
  • ChemSpider ID26641041

More details:

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

1H-2-Benzopyran-1-one, 6,7-dimethoxy-3-(3-thienyl)-4-(trifluoromethyl)- [ACD/Index Name]
6,7-Dimethoxy-3-(3-thienyl)-4-(trifluormethyl)-1H-isochromen-1-on [German] [ACD/IUPAC Name]
6,7-Dimethoxy-3-(3-thienyl)-4-(trifluoromethyl)-1H-isochromen-1-one [ACD/IUPAC Name]
6,7-Diméthoxy-3-(3-thiényl)-4-(trifluorométhyl)-1H-isochromén-1-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 436.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 217.8±28.7 °C
Index of Refraction: 1.565
Molar Refractivity: 80.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1545.73
ACD/KOC (pH 5.5): 6673.90
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1545.73
ACD/KOC (pH 7.4): 6673.90
Polar Surface Area: 73 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 247.8±3.0 cm3

Click to predict properties on the Chemicalize site


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