ChemSpider 2D Image | TERT-BUTYL 5-AMINO-3-BROMO-1H-INDOLE-1-CARBOXYLATE | C13H15BrN2O2

TERT-BUTYL 5-AMINO-3-BROMO-1H-INDOLE-1-CARBOXYLATE

  • Molecular FormulaC13H15BrN2O2
  • Average mass311.174 Da
  • Monoisotopic mass310.031677 Da
  • ChemSpider ID34999145

More details:

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

1260824-88-1 [RN]
1H-Indole-1-carboxylic acid, 5-amino-3-bromo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-amino-3-bromo-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-amino-3-brom-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
5-Amino-3-bromo-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 5-AMINO-3-BROMO-1H-INDOLE-1-CARBOXYLATE
MFCD11617132
TERT-BUTYL 5-AMINO-3-BROMOINDOLE-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: 431.4±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.7±3.0 kJ/mol
    Flash Point: 214.7±29.6 °C
    Index of Refraction: 1.606
    Molar Refractivity: 73.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.35
    ACD/LogD (pH 5.5): 3.05
    ACD/BCF (pH 5.5): 122.15
    ACD/KOC (pH 5.5): 1080.66
    ACD/LogD (pH 7.4): 3.06
    ACD/BCF (pH 7.4): 123.83
    ACD/KOC (pH 7.4): 1095.56
    Polar Surface Area: 57 Å2
    Polarizability: 28.9±0.5 10-24cm3
    Surface Tension: 45.2±7.0 dyne/cm
    Molar Volume: 211.6±7.0 cm3

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