ChemSpider 2D Image | tert-Butyl 5-cyano-3-formyl-1H-indole-1-carboxylate | C15H14N2O3

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

  • Molecular FormulaC15H14N2O3
  • Average mass270.283 Da
  • Monoisotopic mass270.100433 Da
  • ChemSpider ID21474138

More details:

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

1H-Indole-1-carboxylic acid, 5-cyano-3-formyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-cyano-3-formyl-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-cyan-3-formyl-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
5-Cyano-3-formyl-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
914348-93-9 [RN]
tert-Butyl 5-cyano-3-formyl-1H-indole-1-carboxylate
[914348-93-9] [RN]
1-Boc-5-Cyano-3-formylindole
1H-Indole-1-carboxylicacid, 5-cyano-3-formyl-, 1,1-dimethylethyl ester
3-Isobutyl-1-methylxanthine
More...

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: 1.2±0.1 g/cm3
    Boiling Point: 446.0±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.4±3.0 kJ/mol
    Flash Point: 223.5±29.6 °C
    Index of Refraction: 1.575
    Molar Refractivity: 75.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.72
    ACD/LogD (pH 5.5): 2.63
    ACD/BCF (pH 5.5): 58.49
    ACD/KOC (pH 5.5): 640.46
    ACD/LogD (pH 7.4): 2.63
    ACD/BCF (pH 7.4): 58.49
    ACD/KOC (pH 7.4): 640.46
    Polar Surface Area: 72 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 43.9±7.0 dyne/cm
    Molar Volume: 228.5±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement