ChemSpider 2D Image | (S)-chlozolinate | C13H11Cl2NO5

(S)-chlozolinate

  • Molecular FormulaC13H11Cl2NO5
  • Average mass332.136 Da
  • Monoisotopic mass331.001434 Da
  • ChemSpider ID32786771
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5S)-3-(3,5-Dichlorophényl)-5-méthyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
(S)-chlozolinate
5-Oxazolidinecarboxylic acid, 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-, ethyl ester, (5S)- [ACD/Index Name]
Ethyl (5S)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate [ACD/IUPAC Name]
Ethyl-(5S)-3-(3,5-dichlorphenyl)-5-methyl-2,4-dioxo-1,3-oxazolidin-5-carboxylat [German] [ACD/IUPAC Name]
(5R)-3-(3,5-dichlorophenyl)-2,4-diketo-5-methyl-oxazolidine-5-carboxylic acid ethyl ester
(5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-5-oxazolidinecarboxylic acid ethyl ester
282-714-4 [EINECS]
84332-86-5 [RN]
chlozolinate [BSI] [ISO]
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  • Miscellaneous
    • Chemical Class:

      An ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate that is the (<stereo>S</stereo>)-enantiomer of chlozolinate. ChEBI CHEBI:83559

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

Density: 1.5±0.1 g/cm3
Boiling Point: 420.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.3±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.06
ACD/KOC (pH 5.5): 973.99
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.06
ACD/KOC (pH 7.4): 973.99
Polar Surface Area: 73 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 224.4±3.0 cm3

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