ChemSpider 2D Image | 3-Bromo-7-{[(2-methyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid | C12H16BrN3O4

3-Bromo-7-{[(2-methyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid

  • Molecular FormulaC12H16BrN3O4
  • Average mass346.177 Da
  • Monoisotopic mass345.032410 Da
  • ChemSpider ID30913011

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[1,5-a]pyrazin-1-carbonsäure [German] [ACD/IUPAC Name]
3-Bromo-7-{[(2-methyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-bromo-7-{[(2-méthyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tétrahydroimidazo[1,5-a]pyrazine-1-carboxylique [French] [ACD/IUPAC Name]
Imidazo[1,5-a]pyrazine-1,7(8H)-dicarboxylic acid, 3-bromo-5,6-dihydro-, 7-(1,1-dimethylethyl) ester [ACD/Index Name]
1094091-46-9 [RN]
3-bromo-7-(tert-butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid
3-bromo-7-[(tert-butoxy)carbonyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylic acid
7-(Boc)-3-Bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid
7-(tert-Butoxycarbonyl)-3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid
imidazo[1,5-a]pyrazine-1,7(8h)-dicarboxylic acid,3-bromo-5,6-dihydro-,7-(1,1-dimethylethyl)ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 525.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.2±3.0 kJ/mol
    Flash Point: 271.5±32.9 °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: 1.32
    ACD/LogD (pH 5.5): 0.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.05
    ACD/LogD (pH 7.4): -0.92
    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

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