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127192-72-7 | Ethanol, 2-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-
CAS No: 127192-72-7 Catalog No: AG000WQU MDL No:
Product Description
Catalog Number:
AG000WQU
Chemical Name:
Ethanol, 2-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-
CAS Number:
127192-72-7
Molecular Formula:
C23H19N3O2
Molecular Weight:
369.4159
IUPAC Name:
2-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenoxy]ethanol
InChI:
InChI=1S/C23H19N3O2/c27-13-14-28-19-9-7-17(8-10-19)18-15-22(20-5-1-3-11-24-20)26-23(16-18)21-6-2-4-12-25-21/h1-12,15-16,27H,13-14H2
InChI Key:
ITTHDGHSDFMYOE-UHFFFAOYSA-N
SMILES:
OCCOc1ccc(cc1)c1cc(nc(c1)c1ccccn1)c1ccccn1
NSC Number:
640499
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.148g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.424g/mol
Monoisotopic Mass:
369.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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