ChemSpider 2D Image | 5-Chloro-6-[4-(trifluoromethyl)phenyl]nicotinic acid | C13H7ClF3NO2

5-Chloro-6-[4-(trifluoromethyl)phenyl]nicotinic acid

  • Molecular FormulaC13H7ClF3NO2
  • Average mass301.648 Da
  • Monoisotopic mass301.011749 Da
  • ChemSpider ID77019455

More details:

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

3-Pyridinecarboxylic acid, 5-chloro-6-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
5-Chlor-6-[4-(trifluormethyl)phenyl]nicotinsäure [German] [ACD/IUPAC Name]
5-Chloro-6-[4-(trifluoromethyl)phenyl]nicotinic acid [ACD/IUPAC Name]
Acide 5-chloro-6-[4-(trifluorométhyl)phényl]nicotinique [French] [ACD/IUPAC Name]
1261631-80-4 [RN]
5-Chloro-6-(4-(trifluoromethyl)phenyl)nicotinic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 368.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 176.7±27.9 °C
Index of Refraction: 1.551
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 4.38
ACD/KOC (pH 5.5): 24.60
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.72
Polar Surface Area: 50 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 205.9±3.0 cm3

Click to predict properties on the Chemicalize site


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