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Home > Indoles and Oxindole > 82076-04-8
82076-04-8 | 1H-Indole, 3-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-
CAS No: 82076-04-8 Catalog No: AG005C68 MDL No:
Product Description
Catalog Number:
AG005C68
Chemical Name:
1H-Indole, 3-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-
CAS Number:
82076-04-8
Molecular Formula:
C18H14N4O3
Molecular Weight:
334.3288
IUPAC Name:
5-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C18H14N4O3/c23-22(24)14-8-5-12(6-9-14)18-20-17(25-21-18)10-7-13-11-19-16-4-2-1-3-15(13)16/h1-6,8-9,11,19H,7,10H2
InChI Key:
GNDODWFHEPJKNU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1noc(n1)CCc1c[nH]c2c1cccc2
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.107g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.335g/mol
Monoisotopic Mass:
334.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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