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Search term: NJXFSQHZSCXURW (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (6-Chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate | C20H20ClNO8

(6-Chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate

  • Molecular FormulaC20H20ClNO8
  • Average mass437.828 Da
  • Monoisotopic mass437.087738 Da
  • ChemSpider ID33200850

More details:






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

(6-Chlor-4H-1,3-benzodioxin-8-yl)methyl-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoat [German] [ACD/IUPAC Name]
(6-Chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate [ACD/IUPAC Name]
4-(2-Amino-2-oxoéthoxy)-3,5-diméthoxybenzoate de (6-chloro-4H-1,3-benzodioxin-8-yl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-, (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester [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: 621.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.6±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.09
ACD/KOC (pH 5.5): 276.53
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.09
ACD/KOC (pH 7.4): 276.53
Polar Surface Area: 116 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 318.2±3.0 cm3

Click to predict properties on the Chemicalize site






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