ChemSpider 2D Image | Ethyl [(3R)-5,7-dichloro-4-oxo-3,4-dihydro-2H-chromen-3-yl]acetate | C13H12Cl2O4

Ethyl [(3R)-5,7-dichloro-4-oxo-3,4-dihydro-2H-chromen-3-yl]acetate

  • Molecular FormulaC13H12Cl2O4
  • Average mass303.138 Da
  • Monoisotopic mass302.011261 Da
  • ChemSpider ID74169917

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3R)-5,7-Dichloro-4-oxo-3,4-dihydro-2H-chromén-3-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3-acetic acid, 5,7-dichloro-3,4-dihydro-4-oxo-, ethyl ester, (3R)- [ACD/Index Name]
Ethyl [(3R)-5,7-dichloro-4-oxo-3,4-dihydro-2H-chromen-3-yl]acetate [ACD/IUPAC Name]
Ethyl-[(3R)-5,7-dichlor-4-oxo-3,4-dihydro-2H-chromen-3-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 429.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 175.8±27.7 °C
Index of Refraction: 1.547
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 553.49
ACD/KOC (pH 5.5): 3199.78
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 553.49
ACD/KOC (pH 7.4): 3199.78
Polar Surface Area: 53 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 221.8±3.0 cm3

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