ChemSpider 2D Image | (7-Methyl-2-oxo-2H-chromen-4-yl)methyl 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate | C21H17ClO6

(7-Methyl-2-oxo-2H-chromen-4-yl)methyl 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

  • Molecular FormulaC21H17ClO6
  • Average mass400.809 Da
  • Monoisotopic mass400.071381 Da
  • ChemSpider ID22477491

More details:

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

(7-Methyl-2-oxo-2H-chromen-4-yl)methyl 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate [ACD/IUPAC Name]
(7-Methyl-2-oxo-2H-chromen-4-yl)methyl-9-chlor-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylat [German] [ACD/IUPAC Name]
2H-1,5-Benzodioxepin-7-carboxylic acid, 9-chloro-3,4-dihydro-, (7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl ester [ACD/Index Name]
9-Chloro-3,4-dihydro-2H-1,5-benzodioxépine-7-carboxylate de (7-méthyl-2-oxo-2H-chromén-4-yl)méthyle [French] [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: 604.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 230.3±30.5 °C
Index of Refraction: 1.604
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1928.96
ACD/KOC (pH 5.5): 7820.44
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1928.96
ACD/KOC (pH 7.4): 7820.44
Polar Surface Area: 71 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 293.3±3.0 cm3

Click to predict properties on the Chemicalize site


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