| CAS Number | 1311316-67-2 |
| Catalog Number | AG01AIMZ |
| Chemical Name | [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine hydrochloride |
| IUPAC Name | [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C9H8ClN3O.ClH/c10-7-3-1-2-6(4-7)9-12-8(5-11)14-13-9;/h1-4H,5,11H2;1H |
| InChI Key | FSLXOGMCPBPDBU-UHFFFAOYSA-N |
| MDL Number | MFCD18917336 |
| Molecular Formula | C9H9Cl2N3O |
| Molecular Weight | 246.0933 |
| SMILES | Cl.NCC1ON=C(C2=CC(Cl)=CC=C2)N=1 |
| Synonyms | [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine hydrochloride,
1311316-67-2,
AKOS008045825,
MCULE-4280911835,
NE16422,
EN300-78416,
Z1268152364,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.091g/mol |
| Monoisotopic Mass | 245.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number