ChemSpider 2D Image | 3-(5-Bromo-2-methyl-4-nitro-1H-imidazol-1-yl)propanoic acid | C7H8BrN3O4

3-(5-Bromo-2-methyl-4-nitro-1H-imidazol-1-yl)propanoic acid

  • Molecular FormulaC7H8BrN3O4
  • Average mass278.060 Da
  • Monoisotopic mass276.969818 Da
  • ChemSpider ID21410137

More details:

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

1H-Imidazole-1-propanoic acid, 5-bromo-2-methyl-4-nitro- [ACD/Index Name]
3-(5-Brom-2-methyl-4-nitro-1H-imidazol-1-yl)propansäure [German] [ACD/IUPAC Name]
3-(5-Bromo-2-methyl-4-nitro-1H-imidazol-1-yl)propanoic acid [ACD/IUPAC Name]
Acide 3-(5-bromo-2-méthyl-4-nitro-1H-imidazol-1-yl)propanoïque [French] [ACD/IUPAC Name]
139975-81-8 [RN]
3-(5-bromo-2-methyl-4-nitroimidazol-1-yl)propanoic acid
3-(5-Bromo-2-methyl-4-nitro-imidazol-1-yl)-propionic acid
MFCD06208619 [MDL number]
VS-09832

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 479.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.3±3.0 kJ/mol
    Flash Point: 243.6±25.9 °C
    Index of Refraction: 1.674
    Molar Refractivity: 54.0±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.46
    ACD/LogD (pH 5.5): -0.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.12
    ACD/LogD (pH 7.4): -2.66
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 101 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 70.1±7.0 dyne/cm
    Molar Volume: 143.9±7.0 cm3

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