ChemSpider 2D Image | ETHACRYNIC ACID-D5 | C13H7D5Cl2O4

ETHACRYNIC ACID-D5

  • Molecular FormulaC13H7D5Cl2O4
  • Average mass308.169 Da
  • Monoisotopic mass307.042633 Da
  • ChemSpider ID29422718

  • Non-standard isotope - Non-standard isotope

More details:

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

{2,3-Dichlor-4-[2-methylen(2H5)butanoyl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
{2,3-Dichloro-4-[2-methylene(2H5)butanoyl]phenoxy}acetic acid [ACD/IUPAC Name]
1330052-59-9 [RN]
Acetic acid, 2-[2,3-dichloro-4-(2-methylene-1-oxobutyl-3,3,4,4,4-d5)phenoxy]- [ACD/Index Name]
Acide {2,3-dichloro-4-[2-méthylène(2H5)butanoyl]phénoxy}acétique [French] [ACD/IUPAC Name]
ETHACRYNIC ACID-D5
[1330052-59-9] [RN]
2-[2,3-dichloro-4-(3,3,4,4,4-pentadeuterio-2-methylidenebutanoyl)phenoxy]acetic acid
Ethacrynic acid - d5
Ethacrynic acid D5
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Deuterated ethacrynic acid Tocris Bioscience 4987
      Deuterated ethacrynic acid. Used as an internal standard for GC- or LC-mass spectrometry. Tocris Bioscience 4987
      Reagents Tocris Bioscience 4987
      Stable Isotopically Labeled Compounds Tocris Bioscience 4987

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

Density: 1.4±0.1 g/cm3
Boiling Point: 480.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 244.1±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.66
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 224.4±3.0 cm3

Click to predict properties on the Chemicalize site


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