ChemSpider 2D Image | Ethyl (2R,4R)-6-chloro-4-hydroxy-2-chromanecarboxylate | C12H13ClO4

Ethyl (2R,4R)-6-chloro-4-hydroxy-2-chromanecarboxylate

  • Molecular FormulaC12H13ClO4
  • Average mass256.682 Da
  • Monoisotopic mass256.050232 Da
  • ChemSpider ID67159328

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4R)-6-Chloro-4-hydroxy-2-chromanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-carboxylic acid, 6-chloro-3,4-dihydro-4-hydroxy-, ethyl ester, (2R,4R)- [ACD/Index Name]
Ethyl (2R,4R)-6-chloro-4-hydroxy-2-chromanecarboxylate [ACD/IUPAC Name]
Ethyl-(2R,4R)-6-chlor-4-hydroxy-2-chromancarboxylat [German] [ACD/IUPAC Name]
ethyl cis-6-chloro-4-hydroxy-chroman-2-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 368.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 176.4±27.9 °C
Index of Refraction: 1.566
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.18
ACD/KOC (pH 5.5): 379.74
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.18
ACD/KOC (pH 7.4): 379.74
Polar Surface Area: 56 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 190.4±3.0 cm3

Click to predict properties on the Chemicalize site


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