ChemSpider 2D Image | Methyl 5-chloro-2-(2-hydroxy-2-propanyl)-3-methyl-1H-indole-7-carboxylate | C14H16ClNO3

Methyl 5-chloro-2-(2-hydroxy-2-propanyl)-3-methyl-1H-indole-7-carboxylate

  • Molecular FormulaC14H16ClNO3
  • Average mass281.735 Da
  • Monoisotopic mass281.081879 Da
  • ChemSpider ID26401502

More details:

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

1H-Indole-7-carboxylic acid, 5-chloro-2-(1-hydroxy-1-methylethyl)-3-methyl-, methyl ester [ACD/Index Name]
5-Chloro-2-(2-hydroxy-2-propanyl)-3-méthyl-1H-indole-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-chloro-2-(2-hydroxy-2-propanyl)-3-methyl-1H-indole-7-carboxylate [ACD/IUPAC Name]
Methyl-5-chlor-2-(2-hydroxy-2-propanyl)-3-methyl-1H-indol-7-carboxylat [German] [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: 458.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 230.9±27.3 °C
Index of Refraction: 1.615
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 221.18
ACD/KOC (pH 5.5): 1659.50
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.18
ACD/KOC (pH 7.4): 1659.50
Polar Surface Area: 62 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 215.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement