ChemSpider 2D Image | 4-chloro-8-methoxy-5-methylpyrimido[5,4-b]indole | C12H10ClN3O

4-chloro-8-methoxy-5-methylpyrimido[5,4-b]indole

  • Molecular FormulaC12H10ClN3O
  • Average mass247.680 Da
  • Monoisotopic mass247.051239 Da
  • ChemSpider ID21800818

More details:

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

1134334-55-6 [RN]
4-Chlor-8-methoxy-5-methyl-5H-pyrimido[5,4-b]indol [German] [ACD/IUPAC Name]
4-Chloro-8-methoxy-5-methyl-5H-pyrimido[5,4-b]indole [ACD/IUPAC Name]
4-Chloro-8-méthoxy-5-méthyl-5H-pyrimido[5,4-b]indole [French] [ACD/IUPAC Name]
4-chloro-8-methoxy-5-methylpyrimido[5,4-b]indole
5H-Pyrimido[5,4-b]indole, 4-chloro-8-methoxy-5-methyl- [ACD/Index Name]
[1134334-55-6] [RN]
1-Chloro-6-methoxy-9-methyl-9H-2,4,9-triaza-fluorene
4-chloro-8-methoxy-5-methylpyrimidino[5,4-b]indole

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

MFCD12027474 [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: 353.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.9±3.0 kJ/mol
    Flash Point: 167.8±27.9 °C
    Index of Refraction: 1.679
    Molar Refractivity: 65.9±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.14
    ACD/LogD (pH 5.5): 2.95
    ACD/BCF (pH 5.5): 102.81
    ACD/KOC (pH 5.5): 957.59
    ACD/LogD (pH 7.4): 2.95
    ACD/BCF (pH 7.4): 103.34
    ACD/KOC (pH 7.4): 962.51
    Polar Surface Area: 40 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 48.2±7.0 dyne/cm
    Molar Volume: 174.6±7.0 cm3

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