ChemSpider 2D Image | (2S)-7-{3-[2-Chloro-4-(4-fluorophenoxy)phenoxy]propoxy}-2-ethyl-2-chromanecarboxylic acid | C27H26ClFO6

(2S)-7-{3-[2-Chloro-4-(4-fluorophenoxy)phenoxy]propoxy}-2-ethyl-2-chromanecarboxylic acid

  • Molecular FormulaC27H26ClFO6
  • Average mass500.943 Da
  • Monoisotopic mass500.140198 Da
  • ChemSpider ID8382739

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-7-{3-[2-Chlor-4-(4-fluorphenoxy)phenoxy]propoxy}-2-ethyl-2-chromancarbonsäure [German] [ACD/IUPAC Name]
(2S)-7-{3-[2-Chloro-4-(4-fluorophenoxy)phenoxy]propoxy}-2-ethyl-2-chromanecarboxylic acid [ACD/IUPAC Name]
(2S)-7-{3-[2-chloro-4-(4-fluorophenoxy)phenoxy]propoxy}-2-ethyl-3,4-dihydro-2H-chromene-2-carboxylic acid
2H-1-Benzopyran-2-carboxylic acid, 7-[3-[2-chloro-4-(4-fluorophenoxy)phenoxy]propoxy]-2-ethyl-3,4-dihydro-, (2S)- [ACD/Index Name]
Acide (2S)-7-{3-[2-chloro-4-(4-fluorophénoxy)phénoxy]propoxy}-2-éthyl-2-chromanecarboxylique [French] [ACD/IUPAC Name]
(S)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-propoxy}-2-ethyl-chroman-2-carboxylic acid
CHEMBL109241

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 633.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 336.9±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 128.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 211.44
ACD/KOC (pH 5.5): 348.38
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 10.72
ACD/KOC (pH 7.4): 17.67
Polar Surface Area: 74 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 387.7±3.0 cm3

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