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Search term: 58197282 (Found by CSID)
ChemSpider 2D Image | (3R)-4,6-Dichloro-7-(3-chloro-4-hydroxy-6-methoxy-2-propylphenoxy)-3-ethyl-5-hydroxy-2-benzofuran-1(3H)-one | C20H19Cl3O6

(3R)-4,6-Dichloro-7-(3-chloro-4-hydroxy-6-methoxy-2-propylphenoxy)-3-ethyl-5-hydroxy-2-benzofuran-1(3H)-one

  • Molecular FormulaC20H19Cl3O6
  • Average mass461.720 Da
  • Monoisotopic mass460.024719 Da
  • ChemSpider ID58197282

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-4,6-Dichlor-7-(3-chlor-4-hydroxy-6-methoxy-2-propylphenoxy)-3-ethyl-5-hydroxy-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
(3R)-4,6-Dichloro-7-(3-chloro-4-hydroxy-6-methoxy-2-propylphenoxy)-3-ethyl-5-hydroxy-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
(3R)-4,6-Dichloro-7-(3-chloro-4-hydroxy-6-méthoxy-2-propylphénoxy)-3-éthyl-5-hydroxy-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
1(3H)-Isobenzofuranone, 4,6-dichloro-7-(3-chloro-4-hydroxy-6-methoxy-2-propylphenoxy)-3-ethyl-5-hydroxy-, (3R)- [ACD/Index 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: 559.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 291.8±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 110.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 793.05
ACD/KOC (pH 5.5): 2020.60
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 13.99
ACD/KOC (pH 7.4): 35.64
Polar Surface Area: 85 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 320.3±3.0 cm3

Click to predict properties on the Chemicalize site


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