ChemSpider 2D Image | 3-Fluoro-4-(2-methyl-3-thienyl)benzoic acid | C12H9FO2S

3-Fluoro-4-(2-methyl-3-thienyl)benzoic acid

  • Molecular FormulaC12H9FO2S
  • Average mass236.262 Da
  • Monoisotopic mass236.030731 Da
  • ChemSpider ID26545073

More details:

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

3-Fluor-4-(2-methyl-3-thienyl)benzoesäure [German] [ACD/IUPAC Name]
3-Fluoro-4-(2-methyl-3-thienyl)benzoic acid [ACD/IUPAC Name]
Acide 3-fluoro-4-(2-méthyl-3-thiényl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-4-(2-methyl-3-thienyl)- [ACD/Index Name]
1261974-64-4 [RN]
1597188-21-0 [RN]
3-Fluoro-4-(2-methylthiophen-3-yl)benzoic acid
3-FLUORO-4-(2-METHYLTHIOPHENYL)BENZOIC ACID
MFCD31456662

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

Density: 1.3±0.1 g/cm3
Boiling Point: 325.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 150.3±27.9 °C
Index of Refraction: 1.604
Molar Refractivity: 61.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 13.14
ACD/KOC (pH 5.5): 77.18
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.14
Polar Surface Area: 66 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 177.2±3.0 cm3

Click to predict properties on the Chemicalize site


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