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Search term: JBMSOEFHPCTJTH-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-[1-(4-Chlorobenzoyl)-3-ethyl-5-methoxy-1H-indol-2-yl]propanoic acid | C21H20ClNO4

3-[1-(4-Chlorobenzoyl)-3-ethyl-5-methoxy-1H-indol-2-yl]propanoic acid

  • Molecular FormulaC21H20ClNO4
  • Average mass385.841 Da
  • Monoisotopic mass385.108093 Da
  • ChemSpider ID29410856

More details:

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

1H-Indole-2-propanoic acid, 1-(4-chlorobenzoyl)-3-ethyl-5-methoxy- [ACD/Index Name]
3-[1-(4-Chlorbenzoyl)-3-ethyl-5-methoxy-1H-indol-2-yl]propansäure [German] [ACD/IUPAC Name]
3-[1-(4-Chlorobenzoyl)-3-ethyl-5-methoxy-1H-indol-2-yl]propanoic acid [ACD/IUPAC Name]
Acide 3-[1-(4-chlorobenzoyl)-3-éthyl-5-méthoxy-1H-indol-2-yl]propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 513.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 264.2±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 103.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 110.41
ACD/KOC (pH 5.5): 522.39
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 8.21
Polar Surface Area: 69 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 301.7±7.0 cm3

Click to predict properties on the Chemicalize site


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