ChemSpider 2D Image | 6-Chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid | C20H19Cl2NO3

6-Chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid

  • Molecular FormulaC20H19Cl2NO3
  • Average mass392.276 Da
  • Monoisotopic mass391.074188 Da
  • ChemSpider ID29396915

More details:

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

1H-Indole-2-carboxylic acid, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]- [ACD/Index Name]
6-Chlor-3-[3-(4-chlor-3,5-dimethylphenoxy)propyl]-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
6-Chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-chloro-3-[3-(4-chloro-3,5-diméthylphénoxy)propyl]-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
19H

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

Density: 1.4±0.1 g/cm3
Boiling Point: 617.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 327.1±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 105.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 5125.78
ACD/KOC (pH 5.5): 6879.47
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 134.03
ACD/KOC (pH 7.4): 179.88
Polar Surface Area: 62 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 288.6±3.0 cm3

Click to predict properties on the Chemicalize site


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