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189247-15-2

189247-15-2 | 2,2':6',2''-Terpyridine, 4'-(2-propyn-1-yloxy)-

CAS No: 189247-15-2 Catalog No: AG002I46 MDL No:

Product Description

Catalog Number:
AG002I46
Chemical Name:
2,2':6',2''-Terpyridine, 4'-(2-propyn-1-yloxy)-
CAS Number:
189247-15-2
Molecular Formula:
C18H13N3O
Molecular Weight:
287.3153
IUPAC Name:
4-prop-2-ynoxy-2,6-dipyridin-2-ylpyridine
InChI:
InChI=1S/C18H13N3O/c1-2-11-22-14-12-17(15-7-3-5-9-19-15)21-18(13-14)16-8-4-6-10-20-16/h1,3-10,12-13H,11H2
InChI Key:
PCPYECMPPPYDAO-UHFFFAOYSA-N
SMILES:
C#CCOc1cc(nc(c1)c1ccccn1)c1ccccn1

Properties

Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.106g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.322g/mol
Monoisotopic Mass:
287.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Literature

Title Journal
Formation of a [2 + 2]-heterotetranuclear macrocycle from reaction of a platina-homoditopic ligand with iron(II). Dalton transactions (Cambridge, England : 2003) 20050121

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