| CAS Number | 1909319-53-4 |
| Catalog Number | AG01C4JW |
| Chemical Name | 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine hydrochloride |
| IUPAC Name | 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C6H8F3N3O.ClH/c7-6(8,9)5-11-4(12-13-5)2-1-3-10;/h1-3,10H2;1H |
| InChI Key | UDCNFHZBDNCNQQ-UHFFFAOYSA-N |
| MDL Number | MFCD29763134 |
| Molecular Formula | C6H9ClF3N3O |
| Molecular Weight | 231.6034 |
| SMILES | Cl.NCCCC1N=C(C(F)(F)F)ON=1 |
| Synonyms | 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine hydrochloride,
1909319-53-4,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.603g/mol |
| Monoisotopic Mass | 231.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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