ChemSpider 2D Image | tert-Butyl 4-chloro-2-(hydroxymethyl)-1H-indole-1-carboxylate | C14H16ClNO3

tert-Butyl 4-chloro-2-(hydroxymethyl)-1H-indole-1-carboxylate

  • Molecular FormulaC14H16ClNO3
  • Average mass281.735 Da
  • Monoisotopic mass281.081879 Da
  • ChemSpider ID58810089

More details:

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

1H-Indole-1-carboxylic acid, 4-chloro-2-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-chloro-2-(hydroxymethyl)-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-chlor-2-(hydroxymethyl)-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
4-Chloro-2-(hydroxyméthyl)-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
870535-27-6 [RN]
tert-Butyl 4-chloro-2-(hydroxymethyl)-1H-indole-1-carboxylate
DS-19476
MFCD30489086
t-Butyl 4-chloro-2-(hydroxymethyl)-1H-indole-1-carboxylate
TERT-BUTYL 4-CHLORO-2-(HYDROXYMETHYL)INDOLE-1-CARBOXYLATE

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 425.0±53.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.6±3.0 kJ/mol
    Flash Point: 210.8±30.9 °C
    Index of Refraction: 1.568
    Molar Refractivity: 73.6±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.27
    ACD/LogD (pH 5.5): 3.06
    ACD/BCF (pH 5.5): 124.41
    ACD/KOC (pH 5.5): 1099.28
    ACD/LogD (pH 7.4): 3.06
    ACD/BCF (pH 7.4): 124.41
    ACD/KOC (pH 7.4): 1099.28
    Polar Surface Area: 51 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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