| CAS Number | 19932-97-9 |
| Catalog Number | AG01A8XH(AGN-PC-00NMCI) |
| Chemical Name | 3-(4-Nitrophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one |
| IUPAC Name | 3-(4-nitrophenyl)-4H-1,2,4-oxadiazol-5-one |
| InChI | InChI=1S/C8H5N3O4/c12-8-9-7(10-15-8)5-1-3-6(4-2-5)11(13)14/h1-4H,(H,9,10,12) |
| InChI Key | PEVIRNTUXQYRDH-UHFFFAOYSA-N |
| MDL Number | MFCD11106606 |
| Molecular Formula | C8H5N3O4 |
| Molecular Weight | 207.1430 |
| SMILES | [O-][N+](C1=CC=C(C2NC(=O)ON=2)C=C1)=O |
| Synonyms | 3-(4-nitrophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one,
19932-97-9,
AC1Q1XJS,
SCHEMBL5775752,
PEVIRNTUXQYRDH-UHFFFAOYSA-N,
ZINC34128349,
AKOS008144365,
MCULE-3615231729,
NE19603,
EN300-62834,
3-(4-nitrophenyl)-1,2,4-oxadiazol-5(4H)-one,
3-(4-Nitrophenyl)-4H-[1,2,4]oxadiazol-5-one,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.145g/mol |
| Monoisotopic Mass | 207.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 96.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number