29O

N,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide)

Created:2013-09-12
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count0
Bond Count33
Aromatic Bond Count6
2D diagram of 29O

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Chemical Component Summary

NameN,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide)
Systematic Name (OpenEye OEToolkits)N-[3,5-bis(2-bromanylethanoylamino)phenyl]-2-bromanyl-ethanamide
FormulaC12 H12 Br3 N3 O3
Molecular Weight485.954
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cc(cc(c1)NC(=O)CBr)NC(=O)CBr)CBr
SMILESCACTVS3.385BrCC(=O)Nc1cc(NC(=O)CBr)cc(NC(=O)CBr)c1
SMILESOpenEye OEToolkits1.7.6c1c(cc(cc1NC(=O)CBr)NC(=O)CBr)NC(=O)CBr
Canonical SMILESCACTVS3.385 BrCC(=O)Nc1cc(NC(=O)CBr)cc(NC(=O)CBr)c1
Canonical SMILESOpenEye OEToolkits1.7.6 c1c(cc(cc1NC(=O)CBr)NC(=O)CBr)NC(=O)CBr
InChIInChI1.03 InChI=1S/C12H12Br3N3O3/c13-4-10(19)16-7-1-8(17-11(20)5-14)3-9(2-7)18-12(21)6-15/h1-3H,4-6H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyInChI1.03 ZGENBODMIMDNJM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 90421933