ChemSpider 2D Image | Methyl 6-bromo-3-chloro-2-pyrazinecarboxylate | C6H4BrClN2O2

Methyl 6-bromo-3-chloro-2-pyrazinecarboxylate

  • Molecular FormulaC6H4BrClN2O2
  • Average mass251.465 Da
  • Monoisotopic mass249.914459 Da
  • ChemSpider ID29577137

More details:

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

1256921-67-1 [RN]
2-Pyrazinecarboxylic acid, 6-bromo-3-chloro-, methyl ester [ACD/Index Name]
6-Bromo-3-chloro-2-pyrazinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-bromo-3-chloro-2-pyrazinecarboxylate [ACD/IUPAC Name]
methyl 6-bromo-3-chloropyrazine-2-carboxylate
Methyl-6-brom-3-chlor-2-pyrazincarboxylat [German] [ACD/IUPAC Name]
[1256921-67-1] [RN]
2-amino-5-nitrobenzyl alcohol
6-Bromo-3-chloro-2-pyrazinecarboxylic acid methyl ester
6-Bromo-3-chloro-pyrazine-2-carboxylic acid methyl ester
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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: 289.7±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.9±3.0 kJ/mol
    Flash Point: 129.0±25.9 °C
    Index of Refraction: 1.574
    Molar Refractivity: 46.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.19
    ACD/LogD (pH 5.5): 1.24
    ACD/BCF (pH 5.5): 5.16
    ACD/KOC (pH 5.5): 112.57
    ACD/LogD (pH 7.4): 1.24
    ACD/BCF (pH 7.4): 5.16
    ACD/KOC (pH 7.4): 112.57
    Polar Surface Area: 52 Å2
    Polarizability: 18.6±0.5 10-24cm3
    Surface Tension: 55.2±3.0 dyne/cm
    Molar Volume: 141.9±3.0 cm3

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