ChemSpider 2D Image | Methyl 4-chloro-2-quinolinecarboxylate | C11H8ClNO2

Methyl 4-chloro-2-quinolinecarboxylate

  • Molecular FormulaC11H8ClNO2
  • Average mass221.640 Da
  • Monoisotopic mass221.024353 Da
  • ChemSpider ID13928441

More details:

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

114935-92-1 [RN]
2-Quinolinecarboxylic acid, 4-chloro-, methyl ester [ACD/Index Name]
4-Chloro-2-quinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-chloro-2-quinolinecarboxylate [ACD/IUPAC Name]
methyl 4-chloroquinoline-2-carboxylate
Methyl-4-chlor-2-chinolincarboxylat [German] [ACD/IUPAC Name]
1-(Isocyanatomethyl)-3-methylbenzene [ACD/IUPAC Name]
4-Chloro-quinoline-2-carboxylic acid methyl ester
CS-12015
Methyl 4-Chloroquinoline-2-carboxylate?
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 345.2±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.9±3.0 kJ/mol
    Flash Point: 162.6±22.3 °C
    Index of Refraction: 1.624
    Molar Refractivity: 58.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.23
    ACD/LogD (pH 5.5): 2.85
    ACD/BCF (pH 5.5): 86.51
    ACD/KOC (pH 5.5): 847.55
    ACD/LogD (pH 7.4): 2.85
    ACD/BCF (pH 7.4): 86.51
    ACD/KOC (pH 7.4): 847.56
    Polar Surface Area: 39 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 51.3±3.0 dyne/cm
    Molar Volume: 166.6±3.0 cm3

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