ChemSpider 2D Image | 3-Methoxy-1-(phenylsulfonyl)-1H-indole | C15H13NO3S

3-Methoxy-1-(phenylsulfonyl)-1H-indole

  • Molecular FormulaC15H13NO3S
  • Average mass287.334 Da
  • Monoisotopic mass287.061615 Da
  • ChemSpider ID26403998

More details:

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

112890-10-5 [RN]
1H-Indole, 3-methoxy-1-(phenylsulfonyl)- [ACD/Index Name]
3-Methoxy-1-(phenylsulfonyl)-1H-indol [German] [ACD/IUPAC Name]
3-Methoxy-1-(phenylsulfonyl)-1H-indole [ACD/IUPAC Name]
3-Méthoxy-1-(phénylsulfonyl)-1H-indole [French] [ACD/IUPAC Name]
[112890-10-5] [RN]
1-(Benzenesulfonyl)-3-methoxy-1H-indole
1-(benzenesulfonyl)-3-methoxyindole
1-Benzenesulfonyl-3-methoxy-1H-indole
BR-67726
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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: 1.3±0.1 g/cm3
    Boiling Point: 483.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.9±3.0 kJ/mol
    Flash Point: 246.4±26.5 °C
    Index of Refraction: 1.618
    Molar Refractivity: 78.9±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.63
    ACD/LogD (pH 5.5): 3.01
    ACD/BCF (pH 5.5): 114.86
    ACD/KOC (pH 5.5): 1038.22
    ACD/LogD (pH 7.4): 3.01
    ACD/BCF (pH 7.4): 114.86
    ACD/KOC (pH 7.4): 1038.22
    Polar Surface Area: 57 Å2
    Polarizability: 31.3±0.5 10-24cm3
    Surface Tension: 49.0±7.0 dyne/cm
    Molar Volume: 225.3±7.0 cm3

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