ChemSpider 2D Image | tert-butyl 5-bromo-3-methyl-1H-indazole-1-carboxylate | C13H15BrN2O2

tert-butyl 5-bromo-3-methyl-1H-indazole-1-carboxylate

  • Molecular FormulaC13H15BrN2O2
  • Average mass311.174 Da
  • Monoisotopic mass310.031677 Da
  • ChemSpider ID26528563

More details:

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

1H-Indazole-1-carboxylic acid, 5-bromo-3-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-bromo-3-methyl-1H-indazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-brom-3-methyl-1H-indazol-1-carboxylat [German] [ACD/IUPAC Name]
552331-49-4 [RN]
5-Bromo-3-méthyl-1H-indazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 5-bromo-3-methyl-1H-indazole-1-carboxylate
1-Boc-5-bromo-indazole
5-Bromo-3-methyl-indazole-1-carboxylic acid tert-butyl ester
MFCD08435913 [MDL number]
MFCD12913740
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 393.5±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.3±3.0 kJ/mol
    Flash Point: 191.8±25.7 °C
    Index of Refraction: 1.592
    Molar Refractivity: 74.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.34
    ACD/LogD (pH 5.5): 3.91
    ACD/BCF (pH 5.5): 555.64
    ACD/KOC (pH 5.5): 3208.66
    ACD/LogD (pH 7.4): 3.91
    ACD/BCF (pH 7.4): 555.64
    ACD/KOC (pH 7.4): 3208.66
    Polar Surface Area: 44 Å2
    Polarizability: 29.3±0.5 10-24cm3
    Surface Tension: 41.2±7.0 dyne/cm
    Molar Volume: 218.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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