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Search term: CGNHMGMTPMHSLA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 3-(2-(trifluoromethyl)-1H-indol-3-yl)propanoate | C13H12F3NO2

Methyl 3-(2-(trifluoromethyl)-1H-indol-3-yl)propanoate

  • Molecular FormulaC13H12F3NO2
  • Average mass271.235 Da
  • Monoisotopic mass271.082001 Da
  • ChemSpider ID28474787

More details:

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

1161005-04-4 [RN]
1H-Indole-3-propanoic acid, 2-(trifluoromethyl)-, methyl ester [ACD/Index Name]
3-[2-(Trifluorométhyl)-1H-indol-3-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(2-(trifluoromethyl)-1H-indol-3-yl)propanoate
Methyl 3-[2-(trifluoromethyl)-1H-indol-3-yl]propanoate [ACD/IUPAC Name]
Methyl-3-[2-(trifluormethyl)-1H-indol-3-yl]propanoat [German] [ACD/IUPAC Name]
MFCD18909886

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: 1.3±0.1 g/cm3
    Boiling Point: 348.2±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.3±3.0 kJ/mol
    Flash Point: 164.4±26.5 °C
    Index of Refraction: 1.539
    Molar Refractivity: 64.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.15
    ACD/LogD (pH 5.5): 3.16
    ACD/BCF (pH 5.5): 147.48
    ACD/KOC (pH 5.5): 1241.60
    ACD/LogD (pH 7.4): 3.16
    ACD/BCF (pH 7.4): 147.48
    ACD/KOC (pH 7.4): 1241.60
    Polar Surface Area: 42 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 38.2±3.0 dyne/cm
    Molar Volume: 204.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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