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Diethyl [2,2':6',2''-terpyridin]-4'-ylphosphonate

Catalog Number ACM161583751-1
CAS 161583-75-1
Structure Diethyl [2,2':6',2''-terpyridin]-4'-ylphosphonate
Synonyms Phosphonic acid, P-[2,2':6',2''-terpyridin]-4'-yl-, diethyl ester
IUPAC Name 4-diethoxyphosphoryl-2,6-dipyridin-2-ylpyridine
Molecular Weight 369.35
Molecular Formula C19H20N3O3P
Canonical SMILES CCOP(=O)(C1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3)OCC
InChI MDIMWBGOUZAXEP-UHFFFAOYSA-N
InChI Key InChI=1S/C19H20N3O3P/c1-3-24-26(23,25-4-2)15-13-18(16-9-5-7-11-20-16)22-19(14-15)17-10-6-8-12-21-17/h5-14H,3-4H2,1-2H3
Melting Point 147-151 °C
Purity 97%+
Exact Mass 369.12422851
Heavy Atom Count 26
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
Monoisotopic Mass 369.12422851
Rotatable Bond Count 7
Topological Polar Surface Area 74.2 Ų

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