ChemSpider 2D Image | (2S)-[6-Bromo-4-(4-chlorophenyl)-2-methyl-3-quinolinyl](methoxy)acetic acid | C19H15BrClNO3

(2S)-[6-Bromo-4-(4-chlorophenyl)-2-methyl-3-quinolinyl](methoxy)acetic acid

  • Molecular FormulaC19H15BrClNO3
  • Average mass420.684 Da
  • Monoisotopic mass418.992371 Da
  • ChemSpider ID34250656

  • 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](methoxy)essigsäure [German] [ACD/IUPAC Name]
(2S)-[6-Bromo-4-(4-chlorophenyl)-2-methyl-3-quinolinyl](methoxy)acetic acid [ACD/IUPAC Name]
(2s)-[6-Bromo-4-(4-Chlorophenyl)-2-Methylquinolin-3-Yl](Methoxy)ethanoic Acid
3-Quinolineacetic acid, 6-bromo-4-(4-chlorophenyl)-α-methoxy-2-methyl-, (αS)- [ACD/Index Name]
Acide (2S)-[6-bromo-4-(4-chlorophényl)-2-méthyl-3-quinoléinyl](méthoxy)acétique [French] [ACD/IUPAC Name]
(2S)-2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]-2-methoxyacetic acid
(S)-BI-1001
0L9
957889-73-5 [RN]
BI-1001

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

Density: 1.5±0.1 g/cm3
Boiling Point: 561.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 293.4±30.1 °C
Index of Refraction: 1.654
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 6.03
ACD/KOC (pH 5.5): 18.57
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.04
Polar Surface Area: 59 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 277.5±3.0 cm3

Click to predict properties on the Chemicalize site


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