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Search term: NXNLILGWWQNCLQ-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 5-(5-Chloro-1H-indol-1-yl)-5-oxopentanoic acid | C13H12ClNO3

5-(5-Chloro-1H-indol-1-yl)-5-oxopentanoic acid

  • Molecular FormulaC13H12ClNO3
  • Average mass265.692 Da
  • Monoisotopic mass265.050568 Da
  • ChemSpider ID29415543

More details:






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

1H-Indole-1-pentanoic acid, 5-chloro-δ-oxo- [ACD/Index Name]
5-(5-Chlor-1H-indol-1-yl)-5-oxopentansäure [German] [ACD/IUPAC Name]
5-(5-Chloro-1H-indol-1-yl)-5-oxopentanoic acid [ACD/IUPAC Name]
Acide 5-(5-chloro-1H-indol-1-yl)-5-oxopentanoïque [French] [ACD/IUPAC Name]
10.1021/jm400480j

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 459.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 231.9±23.2 °C
Index of Refraction: 1.612
Molar Refractivity: 68.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 6.96
ACD/KOC (pH 5.5): 74.24
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 59 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 196.8±7.0 cm3

Click to predict properties on the Chemicalize site





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