ChemSpider 2D Image | 6-(Trifluoromethyl)-1H-indole-3-carboxylic acid | C10H6F3NO2

6-(Trifluoromethyl)-1H-indole-3-carboxylic acid

  • Molecular FormulaC10H6F3NO2
  • Average mass229.155 Da
  • Monoisotopic mass229.035065 Da
  • ChemSpider ID26904364

More details:

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

13544-10-0 [RN]
1H-Indole-3-carboxylic acid, 6-(trifluoromethyl)- [ACD/Index Name]
6-(Trifluormethyl)-1H-indol-3-carbonsäure [German] [ACD/IUPAC Name]
6-(Trifluoromethyl)-1H-indole-3-carboxylic acid [ACD/IUPAC Name]
Acide 6-(trifluorométhyl)-1H-indole-3-carboxylique [French] [ACD/IUPAC Name]
[13544-10-0] [RN]
6-(Trifluoromethyl)-1H-indole-3-carboxylicacid
indole-3-carboxylic acid,6-(trifluoromethyl)-
MFCD09954945 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 402.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 197.2±27.3 °C
Index of Refraction: 1.598
Molar Refractivity: 50.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.90
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 53 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 147.9±3.0 cm3

Click to predict properties on the Chemicalize site


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