ChemSpider 2D Image | [2-(1-{[4-Chloro(~2~H_4_)phenyl]carbonyl}-5-methoxy-2-methyl-1H-indol-3-yl)acetoxy]acetic acid | C21H14D4ClNO6

[2-(1-{[4-Chloro(2H4)phenyl]carbonyl}-5-methoxy-2-methyl-1H-indol-3-yl)acetoxy]acetic acid

  • Molecular FormulaC21H14D4ClNO6
  • Average mass419.848 Da
  • Monoisotopic mass419.107361 Da
  • ChemSpider ID48059063

  • Non-standard isotope - Non-standard isotope

More details:

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

[2-(1-{[4-Chlor(2H4)phenyl]carbonyl}-5-methoxy-2-methyl-1H-indol-3-yl)acetoxy]essigsäure [German] [ACD/IUPAC Name]
[2-(1-{[4-Chloro(2H4)phenyl]carbonyl}-5-methoxy-2-methyl-1H-indol-3-yl)acetoxy]acetic acid [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 1-[(4-chlorophenyl-2,3,5,6-d4)carbonyl]-5-methoxy-2-methyl-, carboxymethyl ester [ACD/Index Name]
Acide [2-(1-{[4-chloro(2H4)phényl]carbonyl}-5-méthoxy-2-méthyl-1H-indol-3-yl)acétoxy]acétique [French] [ACD/IUPAC Name]
1196151-16-2 [RN]
2-[2-[1-(4-chloro-2,3,5,6-tetradeuteriobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid
ACEMETACIN-D4

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 565.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.4±3.0 kJ/mol
    Flash Point: 295.8±30.1 °C
    Index of Refraction: 1.611
    Molar Refractivity: 106.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.20
    ACD/LogD (pH 5.5): 0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.66
    ACD/LogD (pH 7.4): 0.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 95 Å2
    Polarizability: 42.0±0.5 10-24cm3
    Surface Tension: 49.4±7.0 dyne/cm
    Molar Volume: 305.4±7.0 cm3

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