A1H3S

5-(4-phenoxyphenyl)-1~{H}-imidazole

Created:	2024-02-06
Last modified:	2024-03-20

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1 entries where A1H3S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	17

2D diagram of A1H3S

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Chemical Component Summary
Name	5-(4-phenoxyphenyl)-1~{H}-imidazole
Systematic Name (OpenEye OEToolkits)	5-(4-phenoxyphenyl)-1~{H}-imidazole
Formula	C₁₅ H₁₂ N₂ O
Molecular Weight	236.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	[nH]1cncc1c2ccc(Oc3ccccc3)cc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2ccc(cc2)c3cnc[nH]3
Canonical SMILES	CACTVS	3.385	[nH]1cncc1c2ccc(Oc3ccccc3)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2ccc(cc2)c3cnc[nH]3
InChI	InChI	1.06	InChI=1S/C15H12N2O/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)15-10-16-11-17-15/h1-11H,(H,16,17)
InChIKey	InChI	1.06	XTRKXONZZLYWMT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	139618266

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