| CAS Number | 926236-13-7 |
| Catalog Number | AG019UO3 |
| Chemical Name | 1-(2,3-dichlorobenzoyl)piperazine |
| IUPAC Name | (2,3-dichlorophenyl)-piperazin-1-ylmethanone |
| InChI | InChI=1S/C11H12Cl2N2O/c12-9-3-1-2-8(10(9)13)11(16)15-6-4-14-5-7-15/h1-3,14H,4-7H2 |
| InChI Key | IAQBMAQIQARJEU-UHFFFAOYSA-N |
| MDL Number | MFCD08442219 |
| Molecular Formula | C11H12Cl2N2O |
| Molecular Weight | 259.1318 |
| SMILES | ClC1=C(Cl)C(C(N2CCNCC2)=O)=CC=C1 |
| Synonyms | 1-(2,3-dichlorobenzoyl)piperazine,
1-[(2,3-dichlorophenyl)carbonyl]piperazine,
926236-13-7,
AC1Q3HK0,
SCHEMBL15567382,
CTK7F7897,
ZINC21951338,
AKOS000124754,
MCULE-5355404675,
NE30522,
EN300-42265,
(2,3-dichlorophenyl)(piperazin-1-yl)methanone,
Z228586934,
Methanone, (2,3-dichlorophenyl)-1-piperazinyl,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.13g/mol |
| Monoisotopic Mass | 258.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number