| CAS Number | 1343830-70-5 |
| Catalog Number | AG01BFTK |
| Chemical Name | 3-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one |
| IUPAC Name | 3-(3-chloro-4-fluorophenyl)-4H-1,2,4-oxadiazol-5-one |
| InChI | InChI=1S/C8H4ClFN2O2/c9-5-3-4(1-2-6(5)10)7-11-8(13)14-12-7/h1-3H,(H,11,12,13) |
| InChI Key | XGEOHOUCXQNHEM-UHFFFAOYSA-N |
| MDL Number | MFCD17291175 |
| Molecular Formula | C8H4ClFN2O2 |
| Molecular Weight | 214.5810 |
| SMILES | FC1=C(Cl)C=C(C2NC(=O)ON=2)C=C1 |
| Synonyms | 3-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one,
1343830-70-5,
ZINC62792737,
AKOS012388414,
NE39934,
Z1907760165,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.58g/mol |
| Monoisotopic Mass | 213.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number