ChemSpider 2D Image | Methyl 5-bromo-2-chloro-3-nitrobenzoate | C8H5BrClNO4

Methyl 5-bromo-2-chloro-3-nitrobenzoate

  • Molecular FormulaC8H5BrClNO4
  • Average mass294.487 Da
  • Monoisotopic mass292.909027 Da
  • ChemSpider ID31149456

More details:

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

5-Bromo-2-chloro-3-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2-chloro-3-nitro-, methyl ester [ACD/Index Name]
Methyl 5-bromo-2-chloro-3-nitrobenzoate [ACD/IUPAC Name]
Methyl-5-brom-2-chlor-3-nitrobenzoat [German] [ACD/IUPAC Name]
124371-59-1 [RN]
atoms 15 bonds 15
methyl 5-bromo-2-chloro-3-nitro-benzoate
METHYL5-BROMO-2-CHLORO-3-NITROBENZOATE
MFCD12172987

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 353.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.8±3.0 kJ/mol
    Flash Point: 167.6±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: 2.32
    ACD/LogD (pH 5.5): 2.32
    ACD/BCF (pH 5.5): 34.09
    ACD/KOC (pH 5.5): 435.19
    ACD/LogD (pH 7.4): 2.32
    ACD/BCF (pH 7.4): 34.09
    ACD/KOC (pH 7.4): 435.19
    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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