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4-([2,2':6',2''-Terpyridin]-4'-yl)benzoic acid

Catalog Number
ACM158014745-2
Product Name
4-([2,2':6',2''-Terpyridin]-4'-yl)benzoic acid
Structure
CAS
158014-74-5
Category
Ligands for Functional Metal Complexes
Synonyms
4'-(4-Carboxyphenyl)-2,2':6',2''-terpyridine
IUPAC Name
4-(2,6-dipyridin-2-ylpyridin-4-yl)benzoic acid;
Molecular Weight
353.37
Molecular Formula
C22H15N3O2
Canonical SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)O;
InChI
InChI=1S/C22H15N3O2/c26-22(27)16-9-7-15(8-10-16)17-13-20(18-5-1-3-11-23-18)25-21(14-17)19-6-2-4-12-24-19/h1-14H,(H,26,27);
InChI Key
RPRRPKJKACRJDD-UHFFFAOYSA-N;
Purity
95%
Complexity
466
Covalently-Bonded Unit Count
1
Exact Mass
353.116g/mol
Heavy Atom Count
27
Monoisotopic Mass
353.116g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
76A^2
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