| CAS Number | 1170477-01-6 |
| Catalog Number | AG009M4R(AGN-PC-0WBPHY) |
| Chemical Name | 1-([3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl)piperazine hydrochloride |
| IUPAC Name | 3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole;hydrochloride |
| InChI | InChI=1S/C13H15ClN4O.ClH/c14-11-3-1-10(2-4-11)13-16-12(19-17-13)9-18-7-5-15-6-8-18;/h1-4,15H,5-9H2;1H |
| InChI Key | JDOAEKFHIHSTOO-UHFFFAOYSA-N |
| MDL Number | MFCD09971680 |
| Molecular Formula | C13H16Cl2N4O |
| Molecular Weight | 315.1983 |
| SMILES | Cl.ClC1=CC=C(C2N=C(CN3CCNCC3)ON=2)C=C1 |
| Synonyms | 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine hydrochloride,
1170477-01-6,
C13H16Cl2N4O,
3-(4-Chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole hydrochloride,
AC1Q3B97,
CTK6G9952,
9786AC,
NE33142,
EN300-33641,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.198g/mol |
| Monoisotopic Mass | 314.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number