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ChemSpider 2D Image | 4-Cyano-3-[4-(2-methyl-2-propanyl)phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid | C17H14F3NO2S

4-Cyano-3-[4-(2-methyl-2-propanyl)phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC17H14F3NO2S
  • Average mass353.359 Da
  • Monoisotopic mass353.069733 Da
  • ChemSpider ID23276132

More details:






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

2-Thiophenecarboxylic acid, 4-cyano-3-[4-(1,1-dimethylethyl)phenyl]-5-(trifluoromethyl)- [ACD/Index Name]
4-Cyan-3-[4-(2-methyl-2-propanyl)phenyl]-5-(trifluormethyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-Cyano-3-[4-(2-methyl-2-propanyl)phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-cyano-3-[4-(2-méthyl-2-propanyl)phényl]-5-(trifluorométhyl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
3-(4-tert-butylphenyl)-4-cyano-5-(trifluoromethyl)thiophene-2-carboxylic acid
CHEMBL214834

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 417.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 206.2±28.7 °C
Index of Refraction: 1.566
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 7.79
ACD/KOC (pH 5.5): 23.44
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 3.95
ACD/KOC (pH 7.4): 11.88
Polar Surface Area: 89 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 257.2±5.0 cm3

Click to predict properties on the Chemicalize site





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