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

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

  • Molecular FormulaC22H18Cl2FNO3
  • Average mass434.288 Da
  • Monoisotopic mass433.064789 Da
  • ChemSpider ID68367047

More details:

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

2-(2-Chlor-4-fluorbenzyl)-6-(4-chlor-2-isopropoxyphenyl)nicotinsäure [German] [ACD/IUPAC Name]
2-(2-Chloro-4-fluorobenzyl)-6-(4-chloro-2-isopropoxyphenyl)nicotinic acid [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[(2-chloro-4-fluorophenyl)methyl]-6-[4-chloro-2-(1-methylethoxy)phenyl]- [ACD/Index Name]
Acide 2-(2-chloro-4-fluorobenzyl)-6-(4-chloro-2-isopropoxyphényl)nicotinique [French] [ACD/IUPAC Name]
2-[(2-Chloro-4-fluorophenyl)methyl]-6-(4-chloro-2-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
6-(4-CHLORO-2-ISOPROPOXYPHENYL)-2-[(2-CHLORO-4-FLUOROPHENYL)METHYL]PYRIDINE-3-CARBOXYLIC ACID
6-[4-CHLORO-2-(PROPAN-2-YLOXY)PHENYL]-2-[(2-CHLORO-4-FLUOROPHENYL)METHYL]PYRIDINE-3-CARBOXYLIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 518.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.6±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 110.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 224.85
ACD/KOC (pH 5.5): 451.52
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 18.84
ACD/KOC (pH 7.4): 37.84
Polar Surface Area: 59 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 325.4±3.0 cm3

Click to predict properties on the Chemicalize site


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