ChemSpider 2D Image | 2-Methyl-2-propanyl 5-bromo-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate | C12H13BrN2O3

2-Methyl-2-propanyl 5-bromo-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate

  • Molecular FormulaC12H13BrN2O3
  • Average mass313.147 Da
  • Monoisotopic mass312.010956 Da
  • ChemSpider ID32855873

More details:

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

1H-Indazole-1-carboxylic acid, 5-bromo-2,3-dihydro-3-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-bromo-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-brom-3-oxo-2,3-dihydro-1H-indazol-1-carboxylat [German] [ACD/IUPAC Name]
5-Bromo-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1260782-03-3 [RN]
MFCD16036569
t-Butyl 5-bromo-3-oxo-2H-indazole-1-carboxylate
tert-Butyl 5-bromo-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate
TERT-BUTYL 5-BROMO-3-OXO-2H-INDAZOLE-1-CARBOXYLATE

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.584
    Molar Refractivity: 68.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.92
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 50.77
    ACD/KOC (pH 5.5): 578.75
    ACD/LogD (pH 7.4): 2.54
    ACD/BCF (pH 7.4): 50.19
    ACD/KOC (pH 7.4): 572.06
    Polar Surface Area: 59 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 49.6±3.0 dyne/cm
    Molar Volume: 205.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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