| CAS Number | 1341663-05-5 |
| Catalog Number | AG00HT8R(AGN-PC-0WNR6S) |
| Chemical Name | 5-(2,4-Difluorophenyl)-1,3,4-oxadiazol-2-ol |
| IUPAC Name | 5-(2,4-difluorophenyl)-3H-1,3,4-oxadiazol-2-one |
| InChI | InChI=1S/C8H4F2N2O2/c9-4-1-2-5(6(10)3-4)7-11-12-8(13)14-7/h1-3H,(H,12,13) |
| InChI Key | HWDCTYHFYFHAOF-UHFFFAOYSA-N |
| MDL Number | MFCD19673354 |
| Molecular Formula | C8H4F2N2O2 |
| Molecular Weight | 198.1264 |
| SMILES | Fc1ccc(c(c1)F)c1nnc(o1)O |
| Synonyms | 5-(2,4-Difluorophenyl)-1,3,4-oxadiazol-2-ol,
1341663-05-5,
ODC101292,
ZINC70030606,
AKOS013513786,
5-(2,4-difluorophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-one,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.129g/mol |
| Monoisotopic Mass | 198.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number