ChemSpider 2D Image | Methyl 4-bromo-2-chloro-5-nitrobenzoate | C8H5BrClNO4

Methyl 4-bromo-2-chloro-5-nitrobenzoate

  • Molecular FormulaC8H5BrClNO4
  • Average mass294.487 Da
  • Monoisotopic mass292.909027 Da
  • ChemSpider ID34486002

More details:

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

1157672-86-0 [RN]
4-Bromo-2-chloro-5-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-2-chloro-5-nitro-, methyl ester [ACD/Index Name]
Methyl 4-bromo-2-chloro-5-nitrobenzoate [ACD/IUPAC Name]
Methyl-4-brom-2-chlor-5-nitrobenzoat [German] [ACD/IUPAC Name]
4-Bromo-2-chloro-5-nitro-benzoic acid methyl ester
MFCD12032200

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 347.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.2±3.0 kJ/mol
    Flash Point: 164.1±26.5 °C
    Index of Refraction: 1.599
    Molar Refractivity: 57.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.66
    ACD/LogD (pH 5.5): 3.14
    ACD/BCF (pH 5.5): 143.43
    ACD/KOC (pH 5.5): 1217.10
    ACD/LogD (pH 7.4): 3.14
    ACD/BCF (pH 7.4): 143.43
    ACD/KOC (pH 7.4): 1217.10
    Polar Surface Area: 72 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 54.2±3.0 dyne/cm
    Molar Volume: 167.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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