ChemSpider 2D Image | 2-[(2,3-Dichlorophenoxy)methyl]-5-(2-fluorophenyl)-6-isopropylnicotinic acid | C22H18Cl2FNO3

2-[(2,3-Dichlorophenoxy)methyl]-5-(2-fluorophenyl)-6-isopropylnicotinic acid

  • Molecular FormulaC22H18Cl2FNO3
  • Average mass434.288 Da
  • Monoisotopic mass433.064789 Da
  • ChemSpider ID68367652

More details:

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

2-[(2,3-Dichlorophenoxy)methyl]-5-(2-fluorophenyl)-6-isopropylnicotinic acid [ACD/IUPAC Name]
2-[(2,3-Dichlorphenoxy)methyl]-5-(2-fluorphenyl)-6-isopropylnicotinsäure [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[(2,3-dichlorophenoxy)methyl]-5-(2-fluorophenyl)-6-(1-methylethyl)- [ACD/Index Name]
Acide 2-[(2,3-dichlorophénoxy)méthyl]-5-(2-fluorophényl)-6-isopropylnicotinique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 556.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.6±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 111.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 159.60
ACD/KOC (pH 5.5): 285.02
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 26.15
ACD/KOC (pH 7.4): 46.71
Polar Surface Area: 59 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 323.4±3.0 cm3

Click to predict properties on the Chemicalize site


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