ChemSpider 2D Image | Methyl 5-bromo-2-formylnicotinate | C8H6BrNO3

Methyl 5-bromo-2-formylnicotinate

  • Molecular FormulaC8H6BrNO3
  • Average mass244.042 Da
  • Monoisotopic mass242.953094 Da
  • ChemSpider ID35493173

More details:

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

3-Pyridinecarboxylic acid, 5-bromo-2-formyl-, methyl ester [ACD/Index Name]
5-Bromo-2-formylnicotinate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-bromo-2-formylnicotinate [ACD/IUPAC Name]
Methyl-5-brom-2-formylnicotinat [German] [ACD/IUPAC Name]
1710703-03-9 [RN]
5-Bromo-2-formyl-nicotinic acid methyl ester
COC(=O)C1=CC(Br)=CN=C1C=O
methyl 5-bromo-2-formylpyridine-3-carboxylate
MFCD24450386

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 316.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.7±3.0 kJ/mol
    Flash Point: 145.0±27.9 °C
    Index of Refraction: 1.597
    Molar Refractivity: 50.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.14
    ACD/LogD (pH 5.5): 1.45
    ACD/BCF (pH 5.5): 7.50
    ACD/KOC (pH 5.5): 147.23
    ACD/LogD (pH 7.4): 1.45
    ACD/BCF (pH 7.4): 7.50
    ACD/KOC (pH 7.4): 147.23
    Polar Surface Area: 56 Å2
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 53.8±3.0 dyne/cm
    Molar Volume: 148.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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