ChemSpider 2D Image | 4-Bromo-1H-imidazole-5-carboxylic acid | C4H3BrN2O2

4-Bromo-1H-imidazole-5-carboxylic acid

  • Molecular FormulaC4H3BrN2O2
  • Average mass190.983 Da
  • Monoisotopic mass189.937775 Da
  • ChemSpider ID28474471

More details:

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

1H-Imidazole-5-carboxylic acid, 4-bromo- [ACD/Index Name]
4-Brom-1H-imidazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-Bromo-1H-imidazole-5-carboxylic acid [ACD/IUPAC Name]
50743-02-7 [RN]
5-bromo-1H-Imidazole-4-carboxylic acid
Acide 4-bromo-1H-imidazole-5-carboxylique [French] [ACD/IUPAC Name]
5-bromo-1H-Imidazole-4-carboxylicacid
5-Bromo-3H-imidazole-4-carboxylic acid
MFCD19689187
MFCD22194833

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: 2.1±0.1 g/cm3
    Boiling Point: 514.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.8±3.0 kJ/mol
    Flash Point: 265.2±25.9 °C
    Index of Refraction: 1.667
    Molar Refractivity: 33.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.07
    ACD/LogD (pH 5.5): -1.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 13.2±0.5 10-24cm3
    Surface Tension: 86.6±3.0 dyne/cm
    Molar Volume: 89.7±3.0 cm3

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