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Home > Indoles and Oxindole > 82075-99-8
82075-99-8 | 1H-Indole, 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-
CAS No: 82075-99-8 Catalog No: AG0052P1 MDL No:
Product Description
Catalog Number:
AG0052P1
Chemical Name:
1H-Indole, 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-
CAS Number:
82075-99-8
Molecular Formula:
C17H13N3O
Molecular Weight:
275.3046
IUPAC Name:
5-(1H-indol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C17H13N3O/c1-11-5-4-6-12(9-11)16-19-17(21-20-16)14-10-18-15-8-3-2-7-13(14)15/h2-10,18H,1H3
InChI Key:
RZTHKMCDVXQHHN-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1noc(n1)c1c[nH]c2c1cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.311g/mol
Monoisotopic Mass:
275.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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