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13104-56-8 | 2,2':6',2''-Terpyridine, 4'-(4-methoxyphenyl)-
CAS No: 13104-56-8 Catalog No: AG000VEU MDL No:MFCD06796987
Product Description
Catalog Number:
AG000VEU
Chemical Name:
2,2':6',2''-Terpyridine, 4'-(4-methoxyphenyl)-
CAS Number:
13104-56-8
Molecular Formula:
C22H17N3O
Molecular Weight:
339.3899
MDL Number:
MFCD06796987
IUPAC Name:
4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine
InChI:
InChI=1S/C22H17N3O/c1-26-18-10-8-16(9-11-18)17-14-21(19-6-2-4-12-23-19)25-22(15-17)20-7-3-5-13-24-20/h2-15H,1H3
InChI Key:
QAEWAYWLMREGRA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(nc(c1)c1ccccn1)c1ccccn1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.137g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.398g/mol
Monoisotopic Mass:
339.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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