| CAS Number | 1605138-92-8 |
| Catalog Number | AG019EXX(AGN-PC-0WG46A) |
| Chemical Name | (2-Chloro-4-nitrophenyl)(piperazin-1-yl)methanone hydrochloride |
| IUPAC Name | (2-chloro-4-nitrophenyl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C11H12ClN3O3.ClH/c12-10-7-8(15(17)18)1-2-9(10)11(16)14-5-3-13-4-6-14;/h1-2,7,13H,3-6H2;1H |
| InChI Key | ZWBYLWAPTXECAY-UHFFFAOYSA-N |
| MDL Number | MFCD28992020 |
| Molecular Formula | C11H13Cl2N3O3 |
| Molecular Weight | 306.1452 |
| SMILES | Cl.[O-][N+](=O)c1ccc(C(=O)N2CCNCC2)c(Cl)c1 |
| Synonyms | 1605138-92-8,
(2-Chloro-4-nitrophenyl)(piperazin-1-yl)methanone HCl,
(2-chloro-4-nitrophenyl)-piperazin-1-ylmethanone;hydrochloride,
MFCD28992020,
AKOS025657175,
CS-0037371,
(2-chloro-4-nitrophenyl)-piperazin-1-ylmethanonehydrochloride,
(2-Chloro-4-nitrophenyl)(piperazin-1-yl)methanone hydrochloride,
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| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.143g/mol |
| Monoisotopic Mass | 305.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number