ChemSpider 2D Image | [(2R)-2-Chloro-5-oxo-2,5-dihydro-2-furanyl]acetate | C6H4ClO4

[(2R)-2-Chloro-5-oxo-2,5-dihydro-2-furanyl]acetate

  • Molecular FormulaC6H4ClO4
  • Average mass175.547 Da
  • Monoisotopic mass174.980362 Da
  • ChemSpider ID34999737

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2R)-2-Chlor-5-oxo-2,5-dihydro-2-furanyl]acetat [German] [ACD/IUPAC Name]
[(2R)-2-Chloro-5-oxo-2,5-dihydro-2-furanyl]acetate [ACD/IUPAC Name]
[(2R)-2-Chloro-5-oxo-2,5-dihydro-2-furanyl]acétate [French] [ACD/IUPAC Name]
2-Furanacetic acid, 2-chloro-2,5-dihydro-5-oxo-, ion(1-), (2R)- [ACD/Index Name]
(+)-4-chloromuconolactone(1-)
(2R)-2-chloro-2,5-dihydro-5-oxofuran-2-acetate
(R)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate
(R)-2-chloro-2,5-dihydro-5-oxofuran-2-acetate
[(2R)-2-chloro-5-oxo-2,5-dihydrofuran-2-yl]acetate
  • Miscellaneous

    • Chemical Class:

      A (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate obtained by deprotonation of the carboxy group of (R)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid; major species at pH 7.3. ChEBI CHEBI:85538

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

Density:
Boiling Point: 451.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 77.9±6.0 kJ/mol
Flash Point: 226.8±27.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement