ChemSpider 2D Image | Methyl 1-chloro-3-isoquinolinecarboxylate | C11H8ClNO2

Methyl 1-chloro-3-isoquinolinecarboxylate

  • Molecular FormulaC11H8ClNO2
  • Average mass221.640 Da
  • Monoisotopic mass221.024353 Da
  • ChemSpider ID21763791

More details:

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

1-Chloro-3-isoquinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
349552-70-1 [RN]
3-Isoquinolinecarboxylic acid, 1-chloro-, methyl ester [ACD/Index Name]
Methyl 1-chloro-3-isoquinolinecarboxylate [ACD/IUPAC Name]
methyl 1-chloroisoquinoline-3-carboxylate
Methyl-1-chlor-3-isochinolincarboxylat [German] [ACD/IUPAC Name]
[349552-70-1] [RN]
[349553-73-7] [RN]
349553-73-7 [RN]
6-Azidohexan-1-amine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 385.9±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.5±3.0 kJ/mol
    Flash Point: 187.2±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: 2.47
    ACD/LogD (pH 5.5): 2.64
    ACD/BCF (pH 5.5): 60.12
    ACD/KOC (pH 5.5): 653.17
    ACD/LogD (pH 7.4): 2.64
    ACD/BCF (pH 7.4): 60.12
    ACD/KOC (pH 7.4): 653.18
    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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