| CAS Number | 1965304-80-6 |
| Catalog Number | AG01F7TC(AGN-PC-3H4981) |
| Chemical Name | 3-(2-Acetamido-5-nitrophenyl)-5-methyl-1,2,4-oxadiazole |
| IUPAC Name | N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-nitrophenyl]acetamide |
| InChI | InChI=1S/C11H10N4O4/c1-6(16)12-10-4-3-8(15(17)18)5-9(10)11-13-7(2)19-14-11/h3-5H,1-2H3,(H,12,16) |
| InChI Key | KUQNBSGLENWDIM-UHFFFAOYSA-N |
| MDL Number | MFCD28166192 |
| Molecular Formula | C11H10N4O4 |
| Molecular Weight | 262.2215 |
| SMILES | CC(=O)Nc1ccc(cc1c1noc(n1)C)[N+](=O)[O-] |
| Synonyms | 3-(2-Acetamido-5-nitrophenyl)-5-methyl-1,2,4-oxadiazole,
1965304-80-6,
ZINC219037196,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.225g/mol |
| Monoisotopic Mass | 262.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number