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Search term: CPOSGAZIIDJVMJ-RUZDIDTESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{(2S)-2-[2-(4-Chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid | C28H24ClF3N2O3

4-{(2S)-2-[2-(4-Chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid

  • Molecular FormulaC28H24ClF3N2O3
  • Average mass528.950 Da
  • Monoisotopic mass528.142761 Da
  • ChemSpider ID61711233

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{(2S)-2-[2-(4-Chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid [ACD/IUPAC Name]
4-{(2S)-2-[2-(4-Chlorphenyl)-5,6-difluor-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorbenzoesäure [German] [ACD/IUPAC Name]
Acide 4-{(2S)-2-[2-(4-chlorophényl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyléthoxy}-3-fluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy]-3-fluoro- [ACD/Index Name]
9MM

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

Density: 1.4±0.1 g/cm3
Boiling Point: 681.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 366.0±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 133.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.03
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 14301.39
ACD/KOC (pH 5.5): 12991.00
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 447.78
ACD/KOC (pH 7.4): 406.75
Polar Surface Area: 64 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 374.7±7.0 cm3

Click to predict properties on the Chemicalize site


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