| CAS Number | 1342422-95-0 |
| Catalog Number | AG01BELJ |
| Chemical Name | 5-(2-fluorophenyl)-1,2,4-oxadiazol-3-amine |
| IUPAC Name | 5-(2-fluorophenyl)-1,2,4-oxadiazol-3-amine |
| InChI | InChI=1S/C8H6FN3O/c9-6-4-2-1-3-5(6)7-11-8(10)12-13-7/h1-4H,(H2,10,12) |
| InChI Key | LQFDQXJDLOGJLV-UHFFFAOYSA-N |
| MDL Number | MFCD18867071 |
| Molecular Formula | C8H6FN3O |
| Molecular Weight | 179.1511 |
| SMILES | NC1N=C(C2=C(F)C=CC=C2)ON=1 |
| Synonyms | 5-(2-fluorophenyl)-1,2,4-oxadiazol-3-amine,
1342422-95-0,
ZINC82539225,
AKOS013003726,
NE27535,
Z1889857072,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.154g/mol |
| Monoisotopic Mass | 179.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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