ChemSpider 2D Image | 2-[4-(Trifluoromethoxy)phenoxy]isonicotinic acid | C13H8F3NO4

2-[4-(Trifluoromethoxy)phenoxy]isonicotinic acid

  • Molecular FormulaC13H8F3NO4
  • Average mass299.202 Da
  • Monoisotopic mass299.040527 Da
  • ChemSpider ID29314175

More details:

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

2-[4-(Trifluormethoxy)phenoxy]isonicotinsäure [German] [ACD/IUPAC Name]
2-[4-(Trifluoromethoxy)phenoxy]isonicotinic acid [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 2-[4-(trifluoromethoxy)phenoxy]- [ACD/Index Name]
Acide 2-[4-(trifluorométhoxy)phénoxy]isonicotinique [French] [ACD/IUPAC Name]
1259328-76-1 [RN]
2-(4-(trifluoromethoxy)phenoxy)isonicotinic acid
2-(4-Trifluoromethoxy-phenoxy)-isonicotinic acid
2-[4-(trifluoromethoxy)phenoxy]pyridine-4-carboxylic acid
MFCD22126066 [MDL number]
TS-01083

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

Density: 1.5±0.1 g/cm3
Boiling Point: 446.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 223.9±28.7 °C
Index of Refraction: 1.542
Molar Refractivity: 64.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 10.44
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 69 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 206.2±3.0 cm3

Click to predict properties on the Chemicalize site


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