4XH

5-BROMOQUINOLINE

Created:2015-02-12
Last modified:  2015-05-13

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count18
Aromatic Bond Count11
2D diagram of 4XH

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Chemical Component Summary

Name5-BROMOQUINOLINE
Systematic Name (OpenEye OEToolkits)5-bromanylquinoline
FormulaC9 H6 Br N
Molecular Weight208.055
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc1cccc2ncccc12
SMILESCACTVS3.385Brc1cccc2ncccc12
SMILESOpenEye OEToolkits1.7.6c1cc2c(cccn2)c(c1)Br
Canonical SMILESCACTVS3.385 Brc1cccc2ncccc12
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc2c(cccn2)c(c1)Br
InChIInChI1.03 InChI=1S/C9H6BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H
InChIKeyInChI1.03 CHODTZCXWXCALP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 817321