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332159-51-0 | 1-(4-Nitro-phenyl)-2-(5-m-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CAS No: 332159-51-0 Catalog No: AG01EV5Y MDL No:
Product Description
Catalog Number:
AG01EV5Y
Chemical Name:
1-(4-Nitro-phenyl)-2-(5-m-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CAS Number:
332159-51-0
Molecular Formula:
C17H13N3O4S
Molecular Weight:
355.3678
IUPAC Name:
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C17H13N3O4S/c1-11-3-2-4-13(9-11)16-18-19-17(24-16)25-10-15(21)12-5-7-14(8-6-12)20(22)23/h2-9H,10H2,1H3
InChI Key:
GMLVKZWFOZRRIA-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nnc(o1)SCC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.063g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.368g/mol
Monoisotopic Mass:
355.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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