ChemSpider 2D Image | 4-Isobutoxy-3-methoxybenzoyl chloride | C12H15ClO3

4-Isobutoxy-3-methoxybenzoyl chloride

  • Molecular FormulaC12H15ClO3
  • Average mass242.699 Da
  • Monoisotopic mass242.070969 Da
  • ChemSpider ID23079350

More details:

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

3-methoxy-4-(2-methylpropoxy)benzoyl chloride
4-Isobutoxy-3-methoxybenzoyl chloride [ACD/IUPAC Name]
4-Isobutoxy-3-methoxybenzoylchlorid [German] [ACD/IUPAC Name]
Benzoyl chloride, 3-methoxy-4-(2-methylpropoxy)- [ACD/Index Name]
Chlorure de 4-isobutoxy-3-méthoxybenzoyle [French] [ACD/IUPAC Name]
3535-40-8 [RN]
4-iso-Butoxy-3-methoxybenzoyl chloride
benzoyl chloride, 3-methoxy-4-(2-methylpropoxy)
MFCD12197892 [MDL number]
VS-13851

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 335.6±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.9±3.0 kJ/mol
    Flash Point: 132.6±21.3 °C
    Index of Refraction: 1.508
    Molar Refractivity: 63.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.86
    ACD/LogD (pH 5.5): 3.50
    ACD/BCF (pH 5.5): 270.95
    ACD/KOC (pH 5.5): 1918.98
    ACD/LogD (pH 7.4): 3.50
    ACD/BCF (pH 7.4): 270.95
    ACD/KOC (pH 7.4): 1918.98
    Polar Surface Area: 36 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 35.4±3.0 dyne/cm
    Molar Volume: 213.7±3.0 cm3

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