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89013-88-7 | Pyridine, 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-
CAS No: 89013-88-7 Catalog No: AG0044DS MDL No:
Product Description
Catalog Number:
AG0044DS
Chemical Name:
Pyridine, 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-
CAS Number:
89013-88-7
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
2-(4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
InChI:
InChI=1S/C14H11N3O2/c1-18-12-4-2-10(3-5-12)13-16-17-14(19-13)11-6-8-15-9-7-11/h2-9H,1H3
InChI Key:
QGXSXPVCFLKHQV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(o1)c1ccncc1
NSC Number:
665703
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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