ChemSpider 2D Image | 6-(4-{[3-(2,6-Dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-2-quinolinecarboxylic acid | C29H22Cl2N2O4

6-(4-{[3-(2,6-Dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-2-quinolinecarboxylic acid

  • Molecular FormulaC29H22Cl2N2O4
  • Average mass533.402 Da
  • Monoisotopic mass532.095642 Da
  • ChemSpider ID26325969

More details:






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

2-Quinolinecarboxylic acid, 6-[4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]phenyl]- [ACD/Index Name]
6-(4-{[3-(2,6-Dichlorophenyl)-5-(1-Methylethyl)isoxazol-4-Yl]methoxy}phenyl)quinoline-2-Carboxylic Acid
6-(4-{[3-(2,6-Dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-2-quinolinecarboxylic acid [ACD/IUPAC Name]
6-(4-{[3-(2,6-Dichlorphenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-2-chinolincarbonsäure [German] [ACD/IUPAC Name]
Acide 6-(4-{[3-(2,6-dichlorophényl)-5-isopropyl-1,2-oxazol-4-yl]méthoxy}phényl)-2-quinoléinecarboxylique [French] [ACD/IUPAC Name]
89P

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

Density: 1.4±0.1 g/cm3
Boiling Point: 698.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 376.0±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 143.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 3239.05
ACD/KOC (pH 5.5): 4074.36
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 132.09
ACD/KOC (pH 7.4): 166.15
Polar Surface Area: 85 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 394.6±3.0 cm3

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