| CAS Number | 59701-84-7 |
| Catalog Number | AG00EBAV(AGN-PC-006Z9P) |
| Chemical Name | 4-(2-Chloroacetyl)piperazin-2-one |
| IUPAC Name | 4-(2-chloroacetyl)piperazin-2-one |
| InChI | InChI=1S/C6H9ClN2O2/c7-3-6(11)9-2-1-8-5(10)4-9/h1-4H2,(H,8,10) |
| InChI Key | QVVYHRBAOTZFOZ-UHFFFAOYSA-N |
| MDL Number | MFCD06797213 |
| Molecular Formula | C6H9ClN2O2 |
| Molecular Weight | 176.6009 |
| SMILES | ClCC(N1CC(=O)NCC1)=O |
| Synonyms | 4-(2-Chloroacetyl)piperazin-2-one,
59701-84-7,
4-(2-CHLORO-ACETYL)-PIPERAZIN-2-ONE,
AC1Q3TFH,
SCHEMBL9668272,
CTK6H5150,
DTXSID10462599,
ZINC19475689,
AKOS000180396,
NE29295,
EN300-22884,
F2158-0636,
Z1562119292,
4- -PIPERAZIN-2-ONE,
CID11332798,
Piperazinone, 4-(chloroacetyl)- (9CI),
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.6g/mol |
| Monoisotopic Mass | 176.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number