Found 21 results

Search term: MF = 'C_{16}H_{11}F_{3}O_{4}S'
ChemSpider 2D Image | 4-{[4-(Methoxycarbonyl)phenyl]sulfanyl}-2-(trifluoromethyl)benzoic acid | C16H11F3O4S

4-{[4-(Methoxycarbonyl)phenyl]sulfanyl}-2-(trifluoromethyl)benzoic acid

  • Molecular FormulaC16H11F3O4S
  • Average mass356.316 Da
  • Monoisotopic mass356.033020 Da
  • ChemSpider ID111261558

More details:

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

4-{[4-(Methoxycarbonyl)phenyl]sulfanyl}-2-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
4-{[4-(Methoxycarbonyl)phenyl]sulfanyl}-2-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
Acide 4-{[4-(méthoxycarbonyl)phényl]sulfanyl}-2-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-(methoxycarbonyl)phenyl]thio]-2-(trifluoromethyl)- [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: 494.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.5±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 81.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 14.04
ACD/KOC (pH 5.5): 47.76
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 2.68
ACD/KOC (pH 7.4): 9.11
Polar Surface Area: 89 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 241.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement