Found 108 results

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

4-(2-Carboxyethyl)-3-[(trifluoromethyl)sulfanyl]benzoic acid

  • Molecular FormulaC11H9F3O4S
  • Average mass294.247 Da
  • Monoisotopic mass294.017365 Da
  • ChemSpider ID57351514

More details:

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

4-(2-Carboxyethyl)-3-[(trifluormethyl)sulfanyl]benzoesäure [German] [ACD/IUPAC Name]
4-(2-Carboxyethyl)-3-[(trifluoromethyl)sulfanyl]benzoic acid [ACD/IUPAC Name]
Acide 4-(2-carboxyéthyl)-3-[(trifluorométhyl)sulfanyl]benzoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-carboxy-2-[(trifluoromethyl)thio]- [ACD/Index Name]
1804258-91-0 [RN]
4-(2-Carboxyethyl)-3-((trifluoromethyl)thio)benzoic acid
4-(2-Carboxyethyl)-3-(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: 364.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 174.1±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: 2.95
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.53
ACD/LogD (pH 7.4): -1.67
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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