ChemSpider 2D Image | 5-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid | C5H5BrN2O2

5-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC5H5BrN2O2
  • Average mass205.009 Da
  • Monoisotopic mass203.953430 Da
  • ChemSpider ID29358844

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

1222174-93-7 [RN]
1H-Pyrazole-3-carboxylic acid, 5-bromo-1-methyl- [ACD/Index Name]
5-Brom-1-methyl-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-bromo-1-méthyl-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
1222556-61-7 [RN]
2,2'-Bipyridine-6,6'-diol; [2,2'-Bipyridine]-6,6'(1H,1'H)-dione;[2,2'-Bipyridine]-6,6'(1H,1'H)-dione
31827-04-0 [RN]
5-bromo-1-methyl-1H-pyrazole-3-carboxylicacid
5-bromo-1-methylpyrazole-3-carboxylic acid
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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: 1.9±0.1 g/cm3
    Boiling Point: 361.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 64.0±3.0 kJ/mol
    Flash Point: 172.2±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: 0.76
    ACD/LogD (pH 5.5): -0.39
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.47
    ACD/LogD (pH 7.4): -1.71
    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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