ChemSpider 2D Image | Methyl 3-bromo-4-methyl-5-nitrobenzoate | C9H8BrNO4

Methyl 3-bromo-4-methyl-5-nitrobenzoate

  • Molecular FormulaC9H8BrNO4
  • Average mass274.068 Da
  • Monoisotopic mass272.963654 Da
  • ChemSpider ID21112692

More details:

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

223519-08-2 [RN]
3-Bromo-4-mehtyl-5-nitrobenzoic acid methyl ester
3-Bromo-4-méthyl-5-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
3-Bromo-4-methyl-5-nitrobenzoic acid methyl ester
3-Bromo-5-nitro-p-toluic acid methyl ester
Benzoic acid, 3-bromo-4-methyl-5-nitro-, methyl ester [ACD/Index Name]
Methyl 3-bromo-4-methyl-5-nitrobenzoate [ACD/IUPAC Name]
Methyl 3-bromo-5-nitro-p-toluate
Methyl-3-brom-4-methyl-5-nitrobenzoat [German] [ACD/IUPAC Name]
WNR CE B1 EVO1 [WLN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 337.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.1±3.0 kJ/mol
    Flash Point: 158.0±26.5 °C
    Index of Refraction: 1.580
    Molar Refractivity: 57.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.76
    ACD/LogD (pH 5.5): 2.90
    ACD/BCF (pH 5.5): 93.49
    ACD/KOC (pH 5.5): 895.93
    ACD/LogD (pH 7.4): 2.90
    ACD/BCF (pH 7.4): 93.49
    ACD/KOC (pH 7.4): 895.93
    Polar Surface Area: 72 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 49.7±3.0 dyne/cm
    Molar Volume: 171.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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