ChemSpider 2D Image | 4-Chloro-2-methoxy-5-methylbenzonitrile | C9H8ClNO

4-Chloro-2-methoxy-5-methylbenzonitrile

  • Molecular FormulaC9H8ClNO
  • Average mass181.619 Da
  • Monoisotopic mass181.029449 Da
  • ChemSpider ID24609592

More details:

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

4-Chlor-2-methoxy-5-methylbenzonitril [German] [ACD/IUPAC Name]
4-Chloro-2-methoxy-5-methylbenzonitrile [ACD/IUPAC Name]
4-Chloro-2-méthoxy-5-méthylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-chloro-2-methoxy-5-methyl- [ACD/Index Name]
[755027-31-7] [RN]
3-Ethynylimidazo[1,2-a]pyridine [ACD/IUPAC Name]
4-chloro-2-methoxy-5-methyl benzonitrile
755027-31-7 [RN]
86569-86-0 [RN]
MFCD09999869 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 303.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.4±3.0 kJ/mol
    Flash Point: 137.6±26.5 °C
    Index of Refraction: 1.542
    Molar Refractivity: 47.1±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.10
    ACD/LogD (pH 5.5): 3.14
    ACD/BCF (pH 5.5): 142.82
    ACD/KOC (pH 5.5): 1213.43
    ACD/LogD (pH 7.4): 3.14
    ACD/BCF (pH 7.4): 142.82
    ACD/KOC (pH 7.4): 1213.43
    Polar Surface Area: 33 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 44.6±5.0 dyne/cm
    Molar Volume: 149.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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