Found 108 results

Search term: MF = 'C_{11}H_{9}F_{3}O_{4}S'
ChemSpider 2D Image | 2-(2-Carboxyethyl)-6-[(trifluoromethyl)sulfanyl]benzoic acid | C11H9F3O4S

2-(2-Carboxyethyl)-6-[(trifluoromethyl)sulfanyl]benzoic acid

  • Molecular FormulaC11H9F3O4S
  • Average mass294.247 Da
  • Monoisotopic mass294.017365 Da
  • ChemSpider ID57351158

More details:

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

2-(2-Carboxyethyl)-6-[(trifluormethyl)sulfanyl]benzoesäure [German] [ACD/IUPAC Name]
2-(2-Carboxyethyl)-6-[(trifluoromethyl)sulfanyl]benzoic acid [ACD/IUPAC Name]
Acide 2-(2-carboxyéthyl)-6-[(trifluorométhyl)sulfanyl]benzoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2-carboxy-3-[(trifluoromethyl)thio]- [ACD/Index Name]
1806652-97-0 [RN]
2-(2-Carboxyethyl)-6-(trifluoromethylthio)benzoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 344.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 161.9±27.9 °C
Index of Refraction: 1.560
Molar Refractivity: 61.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 190.4±5.0 cm3

Click to predict properties on the Chemicalize site


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