ChemSpider 2D Image | Methyl 2-bromo-6-nitrobenzoate | C8H6BrNO4

Methyl 2-bromo-6-nitrobenzoate

  • Molecular FormulaC8H6BrNO4
  • Average mass260.042 Da
  • Monoisotopic mass258.947998 Da
  • ChemSpider ID25949147

More details:

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

135484-76-3 [RN]
2-Bromo-6-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-bromo-6-nitro-, methyl ester [ACD/Index Name]
Methyl 2-bromo-6-nitrobenzoate [ACD/IUPAC Name]
Methyl-2-brom-6-nitrobenzoat [German] [ACD/IUPAC Name]
2-bromo-6-nitrobenzoic acid methyl ester
2-bromo-6-nitro-benzoic acid methyl ester
5-(m-Tolyl)nicotinic acid
5-(m-tolyl)pyridine-3-carboxylic acid
BENZOICACID, 2-BROMO-6-NITRO-, METHYL ESTER
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 306.4±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.7±3.0 kJ/mol
    Flash Point: 139.1±22.3 °C
    Index of Refraction: 1.588
    Molar Refractivity: 52.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.81
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 38.73
    ACD/KOC (pH 5.5): 476.83
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 38.73
    ACD/KOC (pH 7.4): 476.83
    Polar Surface Area: 72 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 52.5±3.0 dyne/cm
    Molar Volume: 155.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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