| CAS Number | 1573052-56-8 |
| Catalog Number | AG01AMY0 |
| Chemical Name | 1-(2-nitrobenzoyl)piperazine hydrochloride |
| IUPAC Name | (2-nitrophenyl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C11H13N3O3.ClH/c15-11(13-7-5-12-6-8-13)9-3-1-2-4-10(9)14(16)17;/h1-4,12H,5-8H2;1H |
| InChI Key | JKQOVCPLCNDLBQ-UHFFFAOYSA-N |
| MDL Number | MFCD29034065 |
| Molecular Formula | C11H14ClN3O3 |
| Molecular Weight | 271.7002 |
| SMILES | Cl.[O-][N+](C1=C(C(N2CCNCC2)=O)C=CC=C1)=O |
| Synonyms | 1-(2-nitrobenzoyl)piperazine hydrochloride,
1573052-56-8,
AKOS025656539,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.701g/mol |
| Monoisotopic Mass | 271.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number