ChemSpider 2D Image | 2-(2-Chloro-4-fluorobenzyl)-6-(4-chloro-2-propoxyphenyl)nicotinic acid | C22H18Cl2FNO3

2-(2-Chloro-4-fluorobenzyl)-6-(4-chloro-2-propoxyphenyl)nicotinic acid

  • Molecular FormulaC22H18Cl2FNO3
  • Average mass434.288 Da
  • Monoisotopic mass433.064789 Da
  • ChemSpider ID68407588

More details:






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

2-(2-Chlor-4-fluorbenzyl)-6-(4-chlor-2-propoxyphenyl)nicotinsäure [German] [ACD/IUPAC Name]
2-(2-Chloro-4-fluorobenzyl)-6-(4-chloro-2-propoxyphenyl)nicotinic acid [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[(2-chloro-4-fluorophenyl)methyl]-6-(4-chloro-2-propoxyphenyl)- [ACD/Index Name]
Acide 2-(2-chloro-4-fluorobenzyl)-6-(4-chloro-2-propoxyphényl)nicotinique [French] [ACD/IUPAC Name]
6-(4-CHLORO-2-PROPOXYPHENYL)-2-[(2-CHLORO-4-FLUOROPHENYL)METHYL]PYRIDINE-3-CARBOXYLIC ACID

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 523.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 270.6±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 110.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 246.48
ACD/KOC (pH 5.5): 482.05
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 20.68
ACD/KOC (pH 7.4): 40.44
Polar Surface Area: 59 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 325.0±3.0 cm3

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