ChemSpider 2D Image | Dimethyl 5-[({[(E)-(3-chloro-4,5-dimethoxybenzylidene)amino]oxy}acetyl)amino]isophthalate | C21H21ClN2O8

Dimethyl 5-[({[(E)-(3-chloro-4,5-dimethoxybenzylidene)amino]oxy}acetyl)amino]isophthalate

  • Molecular FormulaC21H21ClN2O8
  • Average mass464.853 Da
  • Monoisotopic mass464.098633 Da
  • ChemSpider ID22910024

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[2-[[[(1E)-(3-chloro-4,5-dimethoxyphenyl)methylene]amino]oxy]acetyl]amino]-, dimethyl ester [ACD/Index Name]
5-[(2-{[(E)-(3-Chloro-4,5-diméthoxybenzylidène)amino]oxy}acétyl)amino]isophtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-[({[(E)-(3-chloro-4,5-dimethoxybenzylidene)amino]oxy}acetyl)amino]isophthalate [ACD/IUPAC Name]
Dimethyl-5-[({[(E)-(3-chlor-4,5-dimethoxybenzyliden)amino]oxy}acetyl)amino]isophthalat [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 818.07
ACD/KOC (pH 5.5): 4232.31
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 818.07
ACD/KOC (pH 7.4): 4232.30
Polar Surface Area: 122 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 352.9±7.0 cm3

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