ChemSpider 2D Image | 3-(4-Fluoro-5-iodo-1H-indol-3-yl)propanoic acid | C11H9FINO2

3-(4-Fluoro-5-iodo-1H-indol-3-yl)propanoic acid

  • Molecular FormulaC11H9FINO2
  • Average mass333.098 Da
  • Monoisotopic mass332.966187 Da
  • ChemSpider ID82953149

More details:

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

1H-Indole-3-propanoic acid, 4-fluoro-5-iodo- [ACD/Index Name]
3-(4-Fluor-5-iod-1H-indol-3-yl)propansäure [German] [ACD/IUPAC Name]
3-(4-Fluoro-5-iodo-1H-indol-3-yl)propanoic acid [ACD/IUPAC Name]
Acide 3-(4-fluoro-5-iodo-1H-indol-3-yl)propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 489.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 249.7±27.3 °C
Index of Refraction: 1.709
Molar Refractivity: 67.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 12.58
ACD/KOC (pH 5.5): 110.07
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.73
Polar Surface Area: 53 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 172.1±3.0 cm3

Click to predict properties on the Chemicalize site


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