ChemSpider 2D Image | Methyl 2-[(2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-yl)oxy]-3-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzoate | C21H28F3N3O7

Methyl 2-[(2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-yl)oxy]-3-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzoate

  • Molecular FormulaC21H28F3N3O7
  • Average mass491.458 Da
  • Monoisotopic mass491.187927 Da
  • ChemSpider ID23976394

More details:

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

2-[(2,2-Diméthyl-4-oxo-3,8,11-trioxa-5-azatridécan-13-yl)oxy]-3-[3-(trifluorométhyl)-3H-diazirén-3-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(12,12-dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-3-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, methyl ester [ACD/Index Name]
Methyl 2-[(2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-yl)oxy]-3-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzoate [ACD/IUPAC Name]
Methyl-2-[(2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-yl)oxy]-3-[3-(trifluormethyl)-3H-diaziren-3-yl]benzoat [German] [ACD/IUPAC Name]
165963-73-5 [RN]
2-[(12,12-Dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic acid methyl ester
2-[2-[2-(2-t-Boc-aminoethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid Met
2-[2-[2-(2-t-Boc-aminoethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid Methyl Ester
2-[2-[2-(2-t-Boc-aminoethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoicAcidMethylEster

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: 1.511
Molar Refractivity: 112.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 706.25
ACD/KOC (pH 5.5): 3809.64
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 706.24
ACD/KOC (pH 7.4): 3809.59
Polar Surface Area: 117 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 38.7±7.0 dyne/cm
Molar Volume: 375.7±7.0 cm3

Click to predict properties on the Chemicalize site


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