| CAS Number | 1016492-00-4 |
| Catalog Number | AG019X5W(AGN-PC-0WO8AE) |
| Chemical Name | 5-(3-Fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C9H8FN3O/c1-5-2-3-6(4-7(5)10)8-12-13-9(11)14-8/h2-4H,1H3,(H2,11,13) |
| InChI Key | YRCHYQMNGMULIA-UHFFFAOYSA-N |
| MDL Number | MFCD09809365 |
| Molecular Formula | C9H8FN3O |
| Molecular Weight | 193.1777 |
| SMILES | CC1=C(F)C=C(C2OC(N)=NN=2)C=C1 |
| Synonyms | 5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine,
1016492-00-4,
AC1Q2FF2,
CTK7E1438,
ZINC19279731,
AKOS000155767,
MCULE-6683160013,
NE14491,
EN300-54131,
AB01000843-01,
Z815264300,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.181g/mol |
| Monoisotopic Mass | 193.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number