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Diethyl 2,2':6',2''-Terpyridine-4'-phosphonate

Catalog Number ACM161583751-2
CAS 161583-75-1
Structure Diethyl 2,2':6',2''-Terpyridine-4'-phosphonate
Synonyms 2,2':6',2''-Terpyridine-4'-phosphonic Acid 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 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;
InChI Key MDIMWBGOUZAXEP-UHFFFAOYSA-N;
Purity 93%+
Appearance Powder or crystal
Complexity 443
Covalently-Bonded Unit Count 1
Exact Mass 369.124g/mol
Heavy Atom Count 26
Monoisotopic Mass 369.124g/mol
Rotatable Bond Count 7
Topological Polar Surface Area 74.2A^2

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