ChemSpider 2D Image | (2s)-[6-Bromo-4-(4-Chlorophenyl)-2-Methylquinolin-3-Yl](Tert-Butoxy)ethanoic Acid | C22H21BrClNO3

(2s)-[6-Bromo-4-(4-Chlorophenyl)-2-Methylquinolin-3-Yl](Tert-Butoxy)ethanoic Acid

  • Molecular FormulaC22H21BrClNO3
  • Average mass462.764 Da
  • Monoisotopic mass461.039337 Da
  • ChemSpider ID34250658
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-[6-Brom-4-(4-chlorphenyl)-2-methyl-3-chinolinyl][(2-methyl-2-propanyl)oxy]essigsäure [German] [ACD/IUPAC Name]
(2S)-[6-Bromo-4-(4-chlorophenyl)-2-methyl-3-quinolinyl][(2-methyl-2-propanyl)oxy]acetic acid [ACD/IUPAC Name]
(2s)-[6-Bromo-4-(4-Chlorophenyl)-2-Methylquinolin-3-Yl](Tert-Butoxy)ethanoic Acid
3-Quinolineacetic acid, 6-bromo-4-(4-chlorophenyl)-α-(1,1-dimethylethoxy)-2-methyl-, (αS)- [ACD/Index Name]
Acide (2S)-[6-bromo-4-(4-chlorophényl)-2-méthyl-3-quinoléinyl][(2-méthyl-2-propanyl)oxy]acétique [French] [ACD/IUPAC Name]
LF2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 575.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 301.9±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 28.13
ACD/KOC (pH 5.5): 56.42
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 4.48
ACD/KOC (pH 7.4): 8.98
Polar Surface Area: 59 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 327.1±3.0 cm3

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