ChemSpider 2D Image | 1-Chloro-6-methyl-5-isoquinolinecarboxylic acid | C11H8ClNO2

1-Chloro-6-methyl-5-isoquinolinecarboxylic acid

  • Molecular FormulaC11H8ClNO2
  • Average mass221.640 Da
  • Monoisotopic mass221.024353 Da
  • ChemSpider ID24597697

More details:

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

1245643-02-0 [RN]
1-Chlor-6-methyl-5-isochinolincarbonsäure [German] [ACD/IUPAC Name]
1-Chloro-6-methyl-5-isoquinolinecarboxylic acid [ACD/IUPAC Name]
1-chloro-6-methylisoquinoline-5-carboxylic acid
5-Isoquinolinecarboxylic acid, 1-chloro-6-methyl- [ACD/Index Name]
Acide 1-chloro-6-méthyl-5-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
[1245643-02-0] [RN]
1-Chloro-6-methyl-isoquinoline-5-carboxylic acid
1-Chloro-6-methylisoquinoline-5-carboxylicacid
MFCD17014895 [MDL number]

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: 1.4±0.1 g/cm3
    Boiling Point: 436.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.0±3.0 kJ/mol
    Flash Point: 217.5±27.3 °C
    Index of Refraction: 1.670
    Molar Refractivity: 58.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.76
    ACD/LogD (pH 5.5): 0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.35
    ACD/LogD (pH 7.4): -0.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 50 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 61.4±3.0 dyne/cm
    Molar Volume: 157.5±3.0 cm3

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