ChemSpider 2D Image | Methyl 4-chloro-7-methoxy-2-quinolinecarboxylate | C12H10ClNO3

Methyl 4-chloro-7-methoxy-2-quinolinecarboxylate

  • Molecular FormulaC12H10ClNO3
  • Average mass251.666 Da
  • Monoisotopic mass251.034927 Da
  • ChemSpider ID28293748

More details:

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

1133115-50-0 [RN]
2-Quinolinecarboxylic acid, 4-chloro-7-methoxy-, methyl ester [ACD/Index Name]
4-Chloro-7-méthoxy-2-quinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-chloro-7-methoxy-2-quinolinecarboxylate [ACD/IUPAC Name]
methyl 4-chloro-7-methoxyquinoline-2-carboxylate
Methyl-4-chlor-7-methoxy-2-chinolincarboxylat [German] [ACD/IUPAC Name]
[1133115-50-0] [RN]
HC-2268
methyl-4-chloro-7-methoxyquinoline-2-carboxylate
MFCD11855871 [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: 1.3±0.1 g/cm3
    Boiling Point: 382.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±3.0 kJ/mol
    Flash Point: 185.4±26.5 °C
    Index of Refraction: 1.604
    Molar Refractivity: 65.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.38
    ACD/LogD (pH 5.5): 2.90
    ACD/BCF (pH 5.5): 94.06
    ACD/KOC (pH 5.5): 899.82
    ACD/LogD (pH 7.4): 2.90
    ACD/BCF (pH 7.4): 94.06
    ACD/KOC (pH 7.4): 899.84
    Polar Surface Area: 48 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 48.3±3.0 dyne/cm
    Molar Volume: 190.6±3.0 cm3

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