| CAS Number | 1858267-88-5 |
| Catalog Number | AG01FSE1(AGN-PC-3H603K) |
| Chemical Name | 4-(5-(Methylsulfonyl)-1,3,4-oxadiazol-2-yl)aniline |
| IUPAC Name | 4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)aniline |
| InChI | InChI=1S/C9H9N3O3S/c1-16(13,14)9-12-11-8(15-9)6-2-4-7(10)5-3-6/h2-5H,10H2,1H3 |
| InChI Key | ULORBWQDLLOPLY-UHFFFAOYSA-N |
| MDL Number | MFCD31692614 |
| Molecular Formula | C9H9N3O3S |
| Molecular Weight | 239.2511 |
| SMILES | CS(=O)(=O)C1=NN=C(O1)C1=CC=C(N)C=C1 |
| Synonyms | 4-(5-(Methylsulfonyl)-1,3,4-oxadiazol-2-yl)aniline,
1858267-88-5,
AK00739004,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.036462g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.25g/mol |
| Monoisotopic Mass | 239.036462g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 108Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number