36Y

4-(4-bromophenyl)-1H-imidazole

Created:	2014-06-27
Last modified:	2015-02-18

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3 entries where 36Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	11

2D diagram of 36Y

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Chemical Component Summary
Name	4-(4-bromophenyl)-1H-imidazole
Systematic Name (OpenEye OEToolkits)	4-(4-bromophenyl)-1H-imidazole
Formula	C₉ H₇ Br N₂
Molecular Weight	223.069
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc2ccc(c1ncnc1)cc2
SMILES	CACTVS	3.385	Brc1ccc(cc1)c2c[nH]cn2
SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1c2c[nH]cn2)Br
Canonical SMILES	CACTVS	3.385	Brc1ccc(cc1)c2c[nH]cn2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1c2c[nH]cn2)Br
InChI	InChI	1.03	InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKey	InChI	1.03	YLIOAWKNPLJMID-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	818595
ChEMBL	CHEMBL4227945

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