ChemSpider 2D Image | 7-Hydroxy-4-({[4-(trifluoromethyl)benzyl]sulfanyl}methyl)-2H-chromen-2-one | C18H13F3O3S

7-Hydroxy-4-({[4-(trifluoromethyl)benzyl]sulfanyl}methyl)-2H-chromen-2-one

  • Molecular FormulaC18H13F3O3S
  • Average mass366.354 Da
  • Monoisotopic mass366.053741 Da
  • ChemSpider ID77474568

More details:

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

2H-1-Benzopyran-2-one, 7-hydroxy-4-[[[[4-(trifluoromethyl)phenyl]methyl]thio]methyl]- [ACD/Index Name]
7-Hydroxy-4-({[4-(trifluormethyl)benzyl]sulfanyl}methyl)-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-Hydroxy-4-({[4-(trifluoromethyl)benzyl]sulfanyl}methyl)-2H-chromen-2-one [ACD/IUPAC Name]
7-Hydroxy-4-({[4-(trifluorométhyl)benzyl]sulfanyl}méthyl)-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 506.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 260.1±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 88.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1574.87
ACD/KOC (pH 5.5): 6754.77
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1154.37
ACD/KOC (pH 7.4): 4951.21
Polar Surface Area: 72 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 259.3±3.0 cm3

Click to predict properties on the Chemicalize site


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