ChemSpider 2D Image | 4-Cyano-5-fluoro-3-methyl-2-thiophenecarboxylic acid | C7H4FNO2S

4-Cyano-5-fluoro-3-methyl-2-thiophenecarboxylic acid

  • Molecular FormulaC7H4FNO2S
  • Average mass185.176 Da
  • Monoisotopic mass184.994675 Da
  • ChemSpider ID96925818

More details:

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

2-Thiophenecarboxylic acid, 4-cyano-5-fluoro-3-methyl- [ACD/Index Name]
4-Cyan-5-fluor-3-methyl-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-Cyano-5-fluoro-3-methyl-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-cyano-5-fluoro-3-méthyl-2-thiophènecarboxylique [French] [ACD/IUPAC 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: 343.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 161.7±27.9 °C
Index of Refraction: 1.579
Molar Refractivity: 40.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 121.8±5.0 cm3

Click to predict properties on the Chemicalize site


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