ChemSpider 2D Image | Methyl 4-bromo-1-(trifluoromethyl)-1H-indole-6-carboxylate | C11H7BrF3NO2

Methyl 4-bromo-1-(trifluoromethyl)-1H-indole-6-carboxylate

  • Molecular FormulaC11H7BrF3NO2
  • Average mass322.078 Da
  • Monoisotopic mass320.961212 Da
  • ChemSpider ID75535386

More details:

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

1H-Indole-6-carboxylic acid, 4-bromo-1-(trifluoromethyl)-, methyl ester [ACD/Index Name]
4-Bromo-1-(trifluorométhyl)-1H-indole-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-bromo-1-(trifluoromethyl)-1H-indole-6-carboxylate [ACD/IUPAC Name]
Methyl-4-brom-1-(trifluormethyl)-1H-indol-6-carboxylat [German] [ACD/IUPAC Name]
2306261-99-2 [RN]
methyl 4-bromo-1-(trifluoromethyl)indole-6-carboxylate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 320.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 147.7±27.9 °C
Index of Refraction: 1.554
Molar Refractivity: 61.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 625.40
ACD/KOC (pH 5.5): 3492.15
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 625.40
ACD/KOC (pH 7.4): 3492.15
Polar Surface Area: 31 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 38.2±7.0 dyne/cm
Molar Volume: 193.1±7.0 cm3

Click to predict properties on the Chemicalize site


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