ChemSpider 2D Image | Methyl 5-bromo-2-nitroisonicotinate | C7H5BrN2O4

Methyl 5-bromo-2-nitroisonicotinate

  • Molecular FormulaC7H5BrN2O4
  • Average mass261.030 Da
  • Monoisotopic mass259.943268 Da
  • ChemSpider ID28537470

More details:

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

1356412-83-3 [RN]
4-Pyridinecarboxylic acid, 5-bromo-2-nitro-, methyl ester [ACD/Index Name]
5-Bromo-2-nitroisonicotinate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-bromo-2-nitroisonicotinate [ACD/IUPAC Name]
Methyl-5-brom-2-nitroisonicotinat [German] [ACD/IUPAC Name]
[1356412-83-3] [RN]
3-Oxocyclopentanecarbonitrile [ACD/IUPAC Name]
Methyl 5-bromo-2-nitropyridine-4-carboxylate
Methyl5-bromo-2-nitroisonicotinate
MFCD21648461 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 353.3±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: 167.5±26.5 °C
    Index of Refraction: 1.593
    Molar Refractivity: 50.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.00
    ACD/LogD (pH 5.5): 1.12
    ACD/BCF (pH 5.5): 4.19
    ACD/KOC (pH 5.5): 97.10
    ACD/LogD (pH 7.4): 1.12
    ACD/BCF (pH 7.4): 4.19
    ACD/KOC (pH 7.4): 97.10
    Polar Surface Area: 85 Å2
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 59.3±3.0 dyne/cm
    Molar Volume: 148.6±3.0 cm3

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