| CAS Number | 1171194-70-9 |
| Catalog Number | AG019N8O |
| Chemical Name | 1-(5-Nitrothiophene-2-carbonyl)piperazine hydrochloride |
| IUPAC Name | (5-nitrothiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C9H11N3O3S.ClH/c13-9(11-5-3-10-4-6-11)7-1-2-8(16-7)12(14)15;/h1-2,10H,3-6H2;1H |
| InChI Key | SWMBRSKUTZYCKS-UHFFFAOYSA-N |
| MDL Number | MFCD11505503 |
| Molecular Formula | C9H12ClN3O3S |
| Molecular Weight | 277.7279 |
| SMILES | Cl.[O-][N+](C1SC(C(N2CCNCC2)=O)=CC=1)=O |
| Synonyms | 1-(5-nitrothiophene-2-carbonyl)piperazine hydrochloride,
1171194-70-9,
1-[(5-nitrothien-2-yl)carbonyl]piperazine hydrochloride,
CTK7F7382,
AKOS016899601,
MCULE-4787142615,
NE44654,
EN300-39688,
Z406680076,
AC1Q38JR,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.02879g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.73g/mol |
| Monoisotopic Mass | 277.02879g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 106Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number