ChemSpider 2D Image | Ethyl (2S)-2-[4-(4-chlorobenzyl)phenoxy]-2-methylbutanoate | C20H23ClO3

Ethyl (2S)-2-[4-(4-chlorobenzyl)phenoxy]-2-methylbutanoate

  • Molecular FormulaC20H23ClO3
  • Average mass346.848 Da
  • Monoisotopic mass346.133575 Da
  • ChemSpider ID32787702

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[4-(4-Chlorobenzyl)phénoxy]-2-méthylbutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-, ethyl ester, (2S)- [ACD/Index Name]
Ethyl (2S)-2-[4-(4-chlorobenzyl)phenoxy]-2-methylbutanoate [ACD/IUPAC Name]
Ethyl-(2S)-2-[4-(4-chlorbenzyl)phenoxy]-2-methylbutanoat [German] [ACD/IUPAC Name]
259-912-4 [EINECS]
55937-99-0 [RN]
Beclobrate
BECLOBRATE, (S)-
UNII-USZ5MY269R

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

S207GVS1EJ [DBID]
UNII:S207GVS1EJ [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 437.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 149.6±23.6 °C
Index of Refraction: 1.542
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14137.17
ACD/KOC (pH 5.5): 32539.98
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14137.17
ACD/KOC (pH 7.4): 32539.98
Polar Surface Area: 36 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 307.4±3.0 cm3

Click to predict properties on the Chemicalize site


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