ChemSpider 2D Image | tert-Butyl 6-bromo-1H-indazole-1-carboxylate | C12H13BrN2O2

tert-Butyl 6-bromo-1H-indazole-1-carboxylate

  • Molecular FormulaC12H13BrN2O2
  • Average mass297.148 Da
  • Monoisotopic mass296.016022 Da
  • ChemSpider ID22524978

More details:

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

1H-Indazole-1-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-bromo-1H-indazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-brom-1H-indazol-1-carboxylat [German] [ACD/IUPAC Name]
6-Bromo-1H-indazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
877264-77-2 [RN]
tert-Butyl 6-bromo-1H-indazole-1-carboxylate
[877264-77-2] [RN]
1-(tert-Butoxycarbonyl)-6-bromoindazole
1-Boc-6-bromo-1H-indazole
1-BOC-6-bromoindazole
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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: 1.5±0.1 g/cm3
    Boiling Point: 377.4±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.5±3.0 kJ/mol
    Flash Point: 182.0±25.7 °C
    Index of Refraction: 1.599
    Molar Refractivity: 69.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.88
    ACD/LogD (pH 5.5): 3.31
    ACD/BCF (pH 5.5): 192.76
    ACD/KOC (pH 5.5): 1503.89
    ACD/LogD (pH 7.4): 3.31
    ACD/BCF (pH 7.4): 192.76
    ACD/KOC (pH 7.4): 1503.89
    Polar Surface Area: 44 Å2
    Polarizability: 27.6±0.5 10-24cm3
    Surface Tension: 43.6±7.0 dyne/cm
    Molar Volume: 203.4±7.0 cm3

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