ChemSpider 2D Image | 3-Fluoro-4-methyl-5-[(3-thienylmethyl)sulfonyl]benzoic acid | C13H11FO4S2

3-Fluoro-4-methyl-5-[(3-thienylmethyl)sulfonyl]benzoic acid

  • Molecular FormulaC13H11FO4S2
  • Average mass314.352 Da
  • Monoisotopic mass314.008270 Da
  • ChemSpider ID41568693

More details:

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

3-Fluor-4-methyl-5-[(3-thienylmethyl)sulfonyl]benzoesäure [German] [ACD/IUPAC Name]
3-Fluoro-4-methyl-5-[(3-thienylmethyl)sulfonyl]benzoic acid [ACD/IUPAC Name]
Acide 3-fluoro-4-méthyl-5-[(3-thiénylméthyl)sulfonyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-4-methyl-5-[(3-thienylmethyl)sulfonyl]- [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: 574.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 300.9±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.74
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 214.4±3.0 cm3

Click to predict properties on the Chemicalize site


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