| CAS Number | 1435804-21-9 |
| Catalog Number | AG01FLSO(AGN-PC-3H5LOA) |
| Chemical Name | 1,2,4-Oxadiazole-5-propanamine, 3-(2-chloro-6-fluorophenyl)-, hydrochloride (1:1) |
| IUPAC Name | 3-[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H11ClFN3O.ClH/c12-7-3-1-4-8(13)10(7)11-15-9(17-16-11)5-2-6-14;/h1,3-4H,2,5-6,14H2;1H |
| InChI Key | KYVRVYJMRKSXFW-UHFFFAOYSA-N |
| MDL Number | MFCD23136107 |
| Molecular Formula | C11H12Cl2FN3O |
| Molecular Weight | 292.1369 |
| SMILES | NCCCc1onc(n1)c1c(F)cccc1Cl.Cl |
| Synonyms | 3-(3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride,
1435804-21-9,
AKOS026677163,
MCULE-9959048064,
F2185-0101,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.135g/mol |
| Monoisotopic Mass | 291.034g/mol |
| Rotatable Bond Count | 4 |
| 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