ChemSpider 2D Image | ethyl 5-chloro-1,3-dimethylindole-2-carboxylate | C13H14ClNO2

ethyl 5-chloro-1,3-dimethylindole-2-carboxylate

  • Molecular FormulaC13H14ClNO2
  • Average mass251.709 Da
  • Monoisotopic mass251.071304 Da
  • ChemSpider ID21800840

More details:

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

1134334-77-2 [RN]
1H-Indole-2-carboxylic acid, 5-chloro-1,3-dimethyl-, ethyl ester [ACD/Index Name]
5-Chloro-1,3-diméthyl-1H-indole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-chloro-1,3-dimethyl-1H-indole-2-carboxylate [ACD/IUPAC Name]
ethyl 5-chloro-1,3-dimethylindole-2-carboxylate
Ethyl-5-chlor-1,3-dimethyl-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]
5-Chloro-1,3-dimethyl-1H-indole-2-carboxylic acid ethyl ester

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

MFCD12027494 [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: 372.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.0±3.0 kJ/mol
    Flash Point: 179.2±26.5 °C
    Index of Refraction: 1.570
    Molar Refractivity: 67.6±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.82
    ACD/LogD (pH 5.5): 4.10
    ACD/BCF (pH 5.5): 766.78
    ACD/KOC (pH 5.5): 4040.64
    ACD/LogD (pH 7.4): 4.10
    ACD/BCF (pH 7.4): 766.78
    ACD/KOC (pH 7.4): 4040.64
    Polar Surface Area: 31 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 38.0±7.0 dyne/cm
    Molar Volume: 206.2±7.0 cm3

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