ES3

4-bromo-1H-imidazole

Created:	2009-12-02
Last modified:	2011-06-04

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7 entries where ES3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	9
Chiral Atom Count	0
Bond Count	9
Aromatic Bond Count	5

2D diagram of ES3

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Chemical Component Summary
Name	4-bromo-1H-imidazole
Systematic Name (OpenEye OEToolkits)	4-bromo-1H-imidazole
Formula	C₃ H₃ Br N₂
Molecular Weight	146.973
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	Brc1c[nH]cn1
SMILES	OpenEye OEToolkits	1.7.0	c1c(nc[nH]1)Br
Canonical SMILES	CACTVS	3.352	Brc1c[nH]cn1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1c(nc[nH]1)Br
InChI	InChI	1.03	InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKey	InChI	1.03	FHZALEJIENDROK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	96125
ChEMBL	CHEMBL1232569
CCDC/CSD	LUDJAX, HEZLAC, HEZLEG

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.