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
1H-Indole-1-carboxylicacid, 5-cyano-3-formyl-, 1,1-dimethylethyl ester

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-21009]
    • Safety:

      20/21/22 Novochemy [NC-21009]
      20/21/36/37/39 Novochemy [NC-21009]
      GHS07; GHS09 Novochemy [NC-21009]
      H304; H332 Novochemy [NC-21009]
      Harmful/Irritant/Air Sensitive/Keep Cold/Store under Argon SynQuest 4H48-1-Y5
      IRRITANT Matrix Scientific 071704
      Irritant SynQuest 4H48-1-Y5, 58822
      P301+P310; P337+P313 Novochemy [NC-21009]
      R22 Novochemy [NC-21009]
      Warning Novochemy [NC-21009]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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