ChemSpider 2D Image | tert-butyl 2-(4-bromoimidazol-1-yl)acetate | C9H13BrN2O2

tert-butyl 2-(4-bromoimidazol-1-yl)acetate

  • Molecular FormulaC9H13BrN2O2
  • Average mass261.116 Da
  • Monoisotopic mass260.016022 Da
  • ChemSpider ID29339931

More details:

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

(4-Bromo-1H-imidazol-1-yl)acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1H-Imidazole-1-acetic acid, 4-bromo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl (4-bromo-1H-imidazol-1-yl)acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4-brom-1H-imidazol-1-yl)acetat [German] [ACD/IUPAC Name]
877399-17-2 [RN]
tert-Butyl 2-(4-bromo-1H-imidazol-1-yl)acetate
tert-butyl 2-(4-bromoimidazol-1-yl)acetate
(4-bromo-imidazol-1-yl)-acetic acid tert-butyl ester
(4-Bromo-imidazol-1-yl)-acetic acid tert-butylester
2-[2-(3-Buten-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane [ACD/IUPAC Name]
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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: 1.4±0.1 g/cm3
    Boiling Point: 357.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.2±3.0 kJ/mol
    Flash Point: 169.7±22.3 °C
    Index of Refraction: 1.547
    Molar Refractivity: 58.3±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.91
    ACD/LogD (pH 5.5): 2.23
    ACD/BCF (pH 5.5): 29.34
    ACD/KOC (pH 5.5): 389.84
    ACD/LogD (pH 7.4): 2.24
    ACD/BCF (pH 7.4): 29.61
    ACD/KOC (pH 7.4): 393.44
    Polar Surface Area: 44 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 40.0±7.0 dyne/cm
    Molar Volume: 183.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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