IU9

N-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide

Created:	2022-04-13
Last modified:	2023-04-19

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1 entries where IU9 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	12

2D diagram of IU9

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Chemical Component Summary
Name	N-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide
Formula	C₁₃ H₉ Cl F N O Se
Molecular Weight	328.628
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Fc1ccc(NC(=O)c2ccccc2[SeH])c(Cl)c1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C(=O)Nc2ccc(cc2Cl)F)[SeH]
Canonical SMILES	CACTVS	3.385	Fc1ccc(NC(=O)c2ccccc2[SeH])c(Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C(=O)Nc2ccc(cc2Cl)F)[SeH]
InChI	InChI	1.06	InChI=1S/C13H9ClFNOSe/c14-10-7-8(15)5-6-11(10)16-13(17)9-3-1-2-4-12(9)18/h1-7,18H,(H,16,17)
InChIKey	InChI	1.06	FAXAPSRLOFVXJE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168007917

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