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Search term: MF = 'C_{14}H_{13}BrN_{2}O_{2}'
ChemSpider 2D Image | tert-Butyl 3-bromo-5-cyano-1H-indole-1-carboxylate | C14H13BrN2O2

tert-Butyl 3-bromo-5-cyano-1H-indole-1-carboxylate

  • Molecular FormulaC14H13BrN2O2
  • Average mass321.169 Da
  • Monoisotopic mass320.016022 Da
  • ChemSpider ID21474161

More details:

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

1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate
1H-Indole-1-carboxylic acid, 3-bromo-5-cyano-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-bromo-5-cyano-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-brom-5-cyan-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
348640-12-0 [RN]
3-Bromo-5-cyano-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-bromo-5-cyano-1H-indole-1-carboxylate
[348640-12-0] [RN]
1-Boc-3-bromo-5-cyanoindole
3-Bromo-1H-indole-5-carbonitrile, N-BOC protected
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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: 433.0±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.9±3.0 kJ/mol
    Flash Point: 215.7±29.6 °C
    Index of Refraction: 1.597
    Molar Refractivity: 77.6±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.07
    ACD/LogD (pH 5.5): 3.82
    ACD/BCF (pH 5.5): 468.82
    ACD/KOC (pH 5.5): 2841.25
    ACD/LogD (pH 7.4): 3.82
    ACD/BCF (pH 7.4): 468.82
    ACD/KOC (pH 7.4): 2841.25
    Polar Surface Area: 55 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 44.3±7.0 dyne/cm
    Molar Volume: 227.7±7.0 cm3

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