ChemSpider 2D Image | tert-Butyl 4-chloro-3-formyl-1H-indole-1-carboxylate | C14H14ClNO3

tert-Butyl 4-chloro-3-formyl-1H-indole-1-carboxylate

  • Molecular FormulaC14H14ClNO3
  • Average mass279.719 Da
  • Monoisotopic mass279.066223 Da
  • ChemSpider ID21474147

More details:

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

1,1-Dimethylethyl 4-chloro-3-formyl-1H-indole-1-carboxylate
1H-Indole-1-carboxylic acid, 4-chloro-3-formyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-chloro-3-formyl-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-chlor-3-formyl-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
4-Chloro-3-formyl-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
914349-00-1 [RN]
tert-Butyl 4-chloro-3-formyl-1H-indole-1-carboxylate
[914349-00-1] [RN]
1-Boc-4-Chloro-3-formylindole
1H-INDOLE-1-CARBOXYLIC ACID,4-CHLORO-3-FORMYL-,1,1-DIMETHYLETHYL ESTER
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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: 1.2±0.1 g/cm3
    Boiling Point: 409.4±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.2±3.0 kJ/mol
    Flash Point: 201.4±29.6 °C
    Index of Refraction: 1.568
    Molar Refractivity: 73.6±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.88
    ACD/LogD (pH 5.5): 3.66
    ACD/BCF (pH 5.5): 357.57
    ACD/KOC (pH 5.5): 2340.46
    ACD/LogD (pH 7.4): 3.66
    ACD/BCF (pH 7.4): 357.57
    ACD/KOC (pH 7.4): 2340.46
    Polar Surface Area: 48 Å2
    Polarizability: 29.2±0.5 10-24cm3
    Surface Tension: 41.6±7.0 dyne/cm
    Molar Volume: 224.9±7.0 cm3

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