ChemSpider 2D Image | MRL24 | C28H24F3NO6

MRL24

  • Molecular FormulaC28H24F3NO6
  • Average mass527.489 Da
  • Monoisotopic mass527.155579 Da
  • ChemSpider ID8134152

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(3-{[1-(4-Methoxybenzoyl)-2-methyl-5-(trifluormethoxy)-1H-indol-3-yl]methyl}phenoxy)propansäure [German] [ACD/IUPAC Name]
(2S)-2-(3-{[1-(4-Methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]methyl}phenoxy)propanoic acid [ACD/IUPAC Name]
Acide (2S)-2-(3-{[1-(4-méthoxybenzoyl)-2-méthyl-5-(trifluorométhoxy)-1H-indol-3-yl]méthyl}phénoxy)propanoïque [French] [ACD/IUPAC Name]
MRL24
Propanoic acid, 2-[3-[[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]methyl]phenoxy]-, (2S)- [ACD/Index Name]
(2S)-2-[3-[[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)indol-3- yl]methyl]phenoxy]propanoic acid
(2S)-2-[3-[[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid
393794-17-7 [RN]
CHEMBL179330
MLR24
More...

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

241 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 307.9±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 131.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 23.02
ACD/KOC (pH 5.5): 74.59
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 3.36
Polar Surface Area: 87 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 402.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement