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Search term: NEWNBNRLTJOGAQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Bromo-1-methyl-1H-pyrazole-4-carboxylic acid | C5H5BrN2O2

5-Bromo-1-methyl-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC5H5BrN2O2
  • Average mass205.009 Da
  • Monoisotopic mass203.953430 Da
  • ChemSpider ID29304044

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-bromo-1-methyl- [ACD/Index Name]
54367-67-8 [RN]
5-Brom-1-methyl-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Bromo-1-methyl-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-bromo-1-méthyl-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
[54367-67-8] [RN]
5-bromo-1-methyl-1h-pyrazole-4-carboxylicacid
5-BROMO-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID
MFCD22052492 [MDL number]
SS-4640

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 347.4±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.4±3.0 kJ/mol
    Flash Point: 163.9±23.7 °C
    Index of Refraction: 1.659
    Molar Refractivity: 39.1±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.82
    ACD/LogD (pH 5.5): -1.28
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 15.5±0.5 10-24cm3
    Surface Tension: 58.8±7.0 dyne/cm
    Molar Volume: 106.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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