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Search term: HBAHRFFATYWHKS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Bromo-7-(tert-butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid | C12H16BrN3O4

3-Bromo-7-(tert-butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid

  • Molecular FormulaC12H16BrN3O4
  • Average mass346.177 Da
  • Monoisotopic mass345.032410 Da
  • ChemSpider ID21109091

More details:

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

3-Brom-7-{[(2-methyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-carbonsäure [German] [ACD/IUPAC Name]
3-Bromo-7-(tert-butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid
3-Bromo-7-{[(2-methyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-bromo-7-{[(2-méthyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tétrahydroimidazo[1,2-a]pyrazine-2-carboxylique [French] [ACD/IUPAC Name]
Imidazo[1,2-a]pyrazine-2,7(8H)-dicarboxylic acid, 3-bromo-5,6-dihydro-, 7-(1,1-dimethylethyl) ester [ACD/Index Name]
[1000576-71-5] [RN]
1000576-71-5 [RN]
100057-67-8 [RN]
3-BROMO-7-(TERT-BUTOXYCARBONYL)-5H,6H,8H-IMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLIC ACID
3-bromo-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 533.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.2±3.0 kJ/mol
    Flash Point: 276.6±30.1 °C
    Index of Refraction: 1.640
    Molar Refractivity: 75.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.78
    ACD/LogD (pH 5.5): -0.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.13
    ACD/LogD (pH 7.4): -0.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 54.8±7.0 dyne/cm
    Molar Volume: 208.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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