ChemSpider 2D Image | {5-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-nitro-2-thienyl}methanol | C12H7F4NO3S

{5-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-nitro-2-thienyl}methanol

  • Molecular FormulaC12H7F4NO3S
  • Average mass321.247 Da
  • Monoisotopic mass321.008270 Da
  • ChemSpider ID122609538

More details:

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

{5-[3-Fluor-4-(trifluormethyl)phenyl]-3-nitro-2-thienyl}methanol [German] [ACD/IUPAC Name]
{5-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-nitro-2-thienyl}methanol [ACD/IUPAC Name]
{5-[3-Fluoro-4-(trifluorométhyl)phényl]-3-nitro-2-thiényl}méthanol [French] [ACD/IUPAC Name]
2-Thiophenemethanol, 5-[3-fluoro-4-(trifluoromethyl)phenyl]-3-nitro- [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: 397.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 194.3±27.9 °C
Index of Refraction: 1.561
Molar Refractivity: 67.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 136.23
ACD/KOC (pH 5.5): 1173.08
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 136.23
ACD/KOC (pH 7.4): 1173.07
Polar Surface Area: 94 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 207.6±3.0 cm3

Click to predict properties on the Chemicalize site


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