ChemSpider 2D Image | Ethyl 3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate | C9H11BrN2O3

Ethyl 3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate

  • Molecular FormulaC9H11BrN2O3
  • Average mass275.099 Da
  • Monoisotopic mass273.995300 Da
  • ChemSpider ID35492139

More details:

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

1779121-90-2 [RN]
3-Bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5H-Pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid, 3-bromo-6,7-dihydro-, ethyl ester [ACD/Index Name]
Ethyl 3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate [ACD/IUPAC Name]
Ethyl-3-brom-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-carboxylat [German] [ACD/IUPAC Name]
3-Bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid ethyl ester
ethyl 3-bromo-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-2-carboxylate
MFCD26129337

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 379.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.8±3.0 kJ/mol
    Flash Point: 183.6±27.9 °C
    Index of Refraction: 1.640
    Molar Refractivity: 56.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): 2.00
    ACD/BCF (pH 5.5): 19.41
    ACD/KOC (pH 5.5): 290.78
    ACD/LogD (pH 7.4): 2.00
    ACD/BCF (pH 7.4): 19.41
    ACD/KOC (pH 7.4): 290.78
    Polar Surface Area: 53 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 53.0±7.0 dyne/cm
    Molar Volume: 157.9±7.0 cm3

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