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Home > Indoles and Oxindole > 37574-83-7
37574-83-7 | 1H-Indole, 2-(5-phenyl-1,3,4-oxadiazol-2-yl)-
CAS No: 37574-83-7 Catalog No: AG0078OL MDL No:
Product Description
Catalog Number:
AG0078OL
Chemical Name:
1H-Indole, 2-(5-phenyl-1,3,4-oxadiazol-2-yl)-
CAS Number:
37574-83-7
Molecular Formula:
C16H11N3O
Molecular Weight:
261.2780
IUPAC Name:
2-(1H-indol-2-yl)-5-phenyl-1,3,4-oxadiazole
InChI:
InChI=1S/C16H11N3O/c1-2-6-11(7-3-1)15-18-19-16(20-15)14-10-12-8-4-5-9-13(12)17-14/h1-10,17H
InChI Key:
XBSKXIUAUURIBZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnc(o1)c1cc2c([nH]1)cccc2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.284g/mol
Monoisotopic Mass:
261.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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