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Home > Pyridines > 101003-66-1
101003-66-1 | Phenol, 3-[2,2':6',2''-terpyridin]-4'-yl-
CAS No: 101003-66-1 Catalog No: AG0003I6 MDL No:
Product Description
Catalog Number:
AG0003I6
Chemical Name:
Phenol, 3-[2,2':6',2''-terpyridin]-4'-yl-
CAS Number:
101003-66-1
Molecular Formula:
C21H15N3O
Molecular Weight:
325.3633
IUPAC Name:
3-(2,6-dipyridin-2-ylpyridin-4-yl)phenol
InChI:
InChI=1S/C21H15N3O/c25-17-7-5-6-15(12-17)16-13-20(18-8-1-3-10-22-18)24-21(14-16)19-9-2-4-11-23-19/h1-14,25H
InChI Key:
FLCKJGVJYOKUBZ-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1cc(nc(c1)c1ccccn1)c1ccccn1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.371g/mol
Monoisotopic Mass:
325.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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