| CAS Number | 1342016-50-5 |
| Catalog Number | AG00HT9B(AGN-PC-0WNR79) |
| Chemical Name | 5-(4-chloro-2-fluorophenyl)-3H-1,3,4-oxadiazol-2-one |
| IUPAC Name | 5-(4-chloro-2-fluorophenyl)-3H-1,3,4-oxadiazol-2-one |
| InChI | InChI=1S/C8H4ClFN2O2/c9-4-1-2-5(6(10)3-4)7-11-12-8(13)14-7/h1-3H,(H,12,13) |
| InChI Key | WGUBEIDBGZJJNX-UHFFFAOYSA-N |
| MDL Number | MFCD19673382 |
| Molecular Formula | C8H4ClFN2O2 |
| Molecular Weight | 214.5810 |
| SMILES | Clc1ccc(c(c1)F)c1n[nH]c(=O)o1 |
| Synonyms | 5-(4-chloro-2-fluorophenyl)-3H-1,3,4-oxadiazol-2-one,
1342016-50-5,
ZINC70030662,
AKOS013512187,
|
| 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 |
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Certificate of Analysis
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