ChemSpider 2D Image | Oxo{4-[(trifluoromethyl)sulfanyl]phenyl}acetic acid | C9H5F3O3S

Oxo{4-[(trifluoromethyl)sulfanyl]phenyl}acetic acid

  • Molecular FormulaC9H5F3O3S
  • Average mass250.194 Da
  • Monoisotopic mass249.991150 Da
  • ChemSpider ID65479596

More details:

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

Acide oxo{4-[(trifluorométhyl)sulfanyl]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-oxo-4-[(trifluoromethyl)thio]- [ACD/Index Name]
Oxo{4-[(trifluormethyl)sulfanyl]phenyl}essigsäure [German] [ACD/IUPAC Name]
Oxo{4-[(trifluoromethyl)sulfanyl]phenyl}acetic acid [ACD/IUPAC Name]
2228391-68-0 [RN]
2-oxo-2-{4-[(trifluoromethyl)sulfanyl]phenyl}acetic acid
4-(Trifluoromethylthio)benzoylformic acid
4-(Trifluoromethylthio)benzoylformicacid
MFCD31720188

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

Density: 1.6±0.1 g/cm3
Boiling Point: 260.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.6±3.0 kJ/mol
Flash Point: 111.4±27.3 °C
Index of Refraction: 1.544
Molar Refractivity: 50.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 160.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement