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Search term: OMKIJVMXZHQHMM-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4,6-Dichloro-3-[3-(dimethylamino)-3-oxopropyl]-1H-indole-2-carboxylic acid | C14H14Cl2N2O3

4,6-Dichloro-3-[3-(dimethylamino)-3-oxopropyl]-1H-indole-2-carboxylic acid

  • Molecular FormulaC14H14Cl2N2O3
  • Average mass329.179 Da
  • Monoisotopic mass328.038147 Da
  • ChemSpider ID23155938

More details:

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

1H-Indole-2-carboxylic acid, 4,6-dichloro-3-[3-(dimethylamino)-3-oxopropyl]- [ACD/Index Name]
4,6-Dichlor-3-[3-(dimethylamino)-3-oxopropyl]-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
4,6-Dichloro-3-[3-(dimethylamino)-3-oxopropyl]-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
Acide 4,6-dichloro-3-[3-(diméthylamino)-3-oxopropyl]-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
4,6-Dichloro-3-(2-dimethylcarbamoyl-ethyl)-1H-indole-2-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL417403/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 571.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 299.3±30.1 °C
Index of Refraction: 1.654
Molar Refractivity: 82.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 28.42
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.12
Polar Surface Area: 73 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 225.0±3.0 cm3

Click to predict properties on the Chemicalize site


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