Found 21 results

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

4-{[4-(Carboxymethyl)-3-(trifluoromethyl)phenyl]sulfanyl}benzoic acid

  • Molecular FormulaC16H11F3O4S
  • Average mass356.316 Da
  • Monoisotopic mass356.033020 Da
  • ChemSpider ID111261448

More details:

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

4-{[4-(Carboxymethyl)-3-(trifluormethyl)phenyl]sulfanyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[4-(Carboxymethyl)-3-(trifluoromethyl)phenyl]sulfanyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{[4-(carboxyméthyl)-3-(trifluorométhyl)phényl]sulfanyl}benzoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[(4-carboxyphenyl)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: 536.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.1±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 81.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 2.41
ACD/KOC (pH 5.5): 9.07
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 232.9±5.0 cm3

Click to predict properties on the Chemicalize site


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