ChemSpider 2D Image | 5-Bromo-2-isobutoxy-1-methyl-3-nitrobenzene | C11H14BrNO3

5-Bromo-2-isobutoxy-1-methyl-3-nitrobenzene

  • Molecular FormulaC11H14BrNO3
  • Average mass288.138 Da
  • Monoisotopic mass287.015686 Da
  • ChemSpider ID28535991

More details:

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

1381944-70-2 [RN]
5-Brom-2-isobutoxy-1-methyl-3-nitrobenzol [German] [ACD/IUPAC Name]
5-Bromo-2-isobutoxy-1-methyl-3-nitrobenzene [ACD/IUPAC Name]
5-Bromo-2-isobutoxy-1-méthyl-3-nitrobenzène [French] [ACD/IUPAC Name]
Benzene, 5-bromo-1-methyl-2-(2-methylpropoxy)-3-nitro- [ACD/Index Name]
[1381944-70-2] [RN]
5-Bromo-1-methyl-2-(2-methylpropoxy)-3-nitrobenzene
5-BROMO-2-ISOBUTOXY-3-NITROTOLUENE
AN-3169
MFCD22375008

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 353.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 57.5±3.0 kJ/mol
    Flash Point: 167.7±26.5 °C
    Index of Refraction: 1.547
    Molar Refractivity: 65.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.44
    ACD/LogD (pH 5.5): 3.89
    ACD/BCF (pH 5.5): 534.08
    ACD/KOC (pH 5.5): 3119.06
    ACD/LogD (pH 7.4): 3.89
    ACD/BCF (pH 7.4): 534.08
    ACD/KOC (pH 7.4): 3119.06
    Polar Surface Area: 55 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 40.7±3.0 dyne/cm
    Molar Volume: 207.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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