ChemSpider 2D Image | 2-[4-(Trifluoromethoxy)phenyl]nicotinic acid | C13H8F3NO3

2-[4-(Trifluoromethoxy)phenyl]nicotinic acid

  • Molecular FormulaC13H8F3NO3
  • Average mass283.203 Da
  • Monoisotopic mass283.045624 Da
  • ChemSpider ID22547495

More details:

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

1086380-00-8 [RN]
2-[4-(Trifluormethoxy)phenyl]nicotinsäure [German] [ACD/IUPAC Name]
2-[4-(Trifluoromethoxy)phenyl]nicotinic acid [ACD/IUPAC Name]
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
3-Pyridinecarboxylic acid, 2-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
Acide 2-[4-(trifluorométhoxy)phényl]nicotinique [French] [ACD/IUPAC Name]
2-(4-(Trifluoromethoxy)phenyl)nicotinic acid
2-(4-Trifluoromethoxyphenyl)nicotinic acid
95%
MFCD09258840 [MDL number]
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 352.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 166.8±27.9 °C
Index of Refraction: 1.540
Molar Refractivity: 63.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 10.66
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.07
Polar Surface Area: 59 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 200.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement