ChemSpider 2D Image | tert-butyl 2-(4-Bromo-1H-pyrazol-1-yl)acetate | C9H13BrN2O2

tert-butyl 2-(4-Bromo-1H-pyrazol-1-yl)acetate

  • Molecular FormulaC9H13BrN2O2
  • Average mass261.116 Da
  • Monoisotopic mass260.016022 Da
  • ChemSpider ID28824169

More details:

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

(4-Bromo-1H-pyrazol-1-yl)acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1199773-67-5 [RN]
1H-Pyrazole-1-acetic acid, 4-bromo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl (4-bromo-1H-pyrazol-1-yl)acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4-brom-1H-pyrazol-1-yl)acetat [German] [ACD/IUPAC Name]
tert-butyl 2-(4-Bromo-1H-pyrazol-1-yl)acetate
DS-19254
MFCD13193178
tert-butyl (4-bromo-1H-pyrazol-1-yl)acetate
TERT-BUTYL 2-(4-BROMOPYRAZOL-1-YL)ACETATE

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 311.7±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.3±3.0 kJ/mol
    Flash Point: 142.3±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: 2.62
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 51.23
    ACD/KOC (pH 5.5): 582.51
    ACD/LogD (pH 7.4): 2.55
    ACD/BCF (pH 7.4): 51.23
    ACD/KOC (pH 7.4): 582.51
    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


    Advertisement