2XY

N-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine

Created:2008-10-31
Last modified:  2012-01-05

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count33
Aromatic Bond Count0
2D diagram of 2XY

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Chemical Component Summary

NameN-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine
FormulaC11 H12 F3 N3 O3
Molecular Weight291.226
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385[O-][N+](=O)c1cc(ccc1NN2CCOCC2)C(F)(F)F
SMILESOpenEye OEToolkits1.7.5c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2
Canonical SMILESCACTVS3.385 [O-][N+](=O)c1cc(ccc1NN2CCOCC2)C(F)(F)F
Canonical SMILESOpenEye OEToolkits1.7.5 c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2
InChIInChI1.03 InChI=1S/C11H12F3N3O3/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)15-16-3-5-20-6-4-16/h1-2,7,15H,3-6H2
InChIKeyInChI1.03 XUPDNGHJBHPAKD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 12318718