Ir(η3-allyl)(4-cyano-3-nitrobenzoic acid(-2H))((S)-SEGPHOS)

Modify Date: 2025-08-26 12:16:00

Ir(η3-allyl)(4-cyano-3-nitrobenzoic acid(-2H))((S)-SEGPHOS) structure	Common Name	Ir(η3-allyl)(4-cyano-3-nitrobenzoic acid(-2H))((S)-SEGPHOS)
	CAS Number	1208092-27-6	Molecular Weight	1031.96000
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₄₉H₃₃IrN₂O₈P₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	Ir(η3-allyl)(4-cyano-3-nitrobenzoic acid(-2H))((S)-SEGPHOS)
Synonym	More Synonyms

Molecular Formula	C₄₉H₃₃IrN₂O₈P₂
Molecular Weight	1031.96000
Exact Mass	1032.13000
PSA	160.01000
LogP	8.63238
InChIKey	WNUGBSVEKALVKR-UHFFFAOYSA-N
SMILES	N#Cc1c[c-]c(C(=O)O)cc1[N+](=O)[O-].[CH2][CH][CH2].[Ir].c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1

[(R)-(+)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole][4-cyano-3-nitrobenzenecarboxylato][1,2,3-η-2-propenyl Ir(III)

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