ChemSpider 2D Image | (2R)-3',4',5-Trichloro-7-hexyl-6-hydroxy-1'-methyl-3H-spiro[1-benzofuran-2,2'-pyrrole]-3,5'(1'H)-dione | C18H18Cl3NO4

(2R)-3',4',5-Trichloro-7-hexyl-6-hydroxy-1'-methyl-3H-spiro[1-benzofuran-2,2'-pyrrole]-3,5'(1'H)-dione

  • Molecular FormulaC18H18Cl3NO4
  • Average mass418.699 Da
  • Monoisotopic mass417.030151 Da
  • ChemSpider ID28527328
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-3',4',5-Trichlor-7-hexyl-6-hydroxy-1'-methyl-3H-spiro[1-benzofuran-2,2'-pyrrole]-3,5'(1'H)-dion [German] [ACD/IUPAC Name]
(2R)-3',4',5-Trichloro-7-hexyl-6-hydroxy-1'-methyl-3H-spiro[1-benzofuran-2,2'-pyrrole]-3,5'(1'H)-dione [ACD/IUPAC Name]
(2R)-3',4',5-Trichloro-7-hexyl-6-hydroxy-1'-méthyl-3H-spiro[1-benzofuran-2,2'-pyrrole]-3,5'(1'H)-dione [French] [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),2'-[2H]pyrrole]-3,5'(1'H)-dione, 3',4',5-trichloro-7-hexyl-6-hydroxy-1'-methyl-, (2R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 621.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 329.6±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 99.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5122.32
ACD/KOC (pH 5.5): 14638.59
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 279.89
ACD/KOC (pH 7.4): 799.88
Polar Surface Area: 67 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 278.7±5.0 cm3

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