| CAS Number | 1803602-20-1 |
| Catalog Number | AG01BDSW |
| Chemical Name | 4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidine hydrochloride |
| IUPAC Name | 3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride |
| InChI | InChI=1S/C13H14BrN3O.ClH/c14-11-4-2-1-3-10(11)12-16-13(18-17-12)9-5-7-15-8-6-9;/h1-4,9,15H,5-8H2;1H |
| InChI Key | NBLDBFDAPHDTFQ-UHFFFAOYSA-N |
| MDL Number | MFCD28023673 |
| Molecular Formula | C13H15BrClN3O |
| Molecular Weight | 344.6347 |
| SMILES | Cl.BrC1=C(C2N=C(C3CCNCC3)ON=2)C=CC=C1 |
| Synonyms | 4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidine hydrochloride,
1803602-20-1,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.637g/mol |
| Monoisotopic Mass | 343.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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