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

ChemSpider 2D Image | 2-(3-Chloro-4-methoxyphenyl)-2-oxoethyl 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate | C20H20ClNO8

2-(3-Chloro-4-methoxyphenyl)-2-oxoethyl 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate

  • Molecular FormulaC20H20ClNO8
  • Average mass437.828 Da
  • Monoisotopic mass437.087738 Da
  • ChemSpider ID33200694

More details:






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

2-(3-Chlor-4-methoxyphenyl)-2-oxoethyl-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoat [German] [ACD/IUPAC Name]
2-(3-Chloro-4-methoxyphenyl)-2-oxoethyl 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate [ACD/IUPAC Name]
4-(2-Amino-2-oxoéthoxy)-3,5-diméthoxybenzoate de 2-(3-chloro-4-méthoxyphényl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-, 2-(3-chloro-4-methoxyphenyl)-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.8±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.53
ACD/KOC (pH 5.5): 383.14
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.53
ACD/KOC (pH 7.4): 383.14
Polar Surface Area: 123 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 328.5±3.0 cm3

Click to predict properties on the Chemicalize site






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