| CAS Number | 1869195-99-2 |
| Catalog Number | AG01DW27 |
| Chemical Name | 3-(4-iodophenyl)piperazin-2-one |
| IUPAC Name | 3-(4-iodophenyl)piperazin-2-one |
| InChI | InChI=1S/C10H11IN2O/c11-8-3-1-7(2-4-8)9-10(14)13-6-5-12-9/h1-4,9,12H,5-6H2,(H,13,14) |
| InChI Key | FQXYDYZZGPYGBW-UHFFFAOYSA-N |
| MDL Number | MFCD31446540 |
| Molecular Formula | C10H11IN2O |
| Molecular Weight | 302.1116 |
| SMILES | IC1=CC=C(C2C(=O)NCCN2)C=C1 |
| Synonyms | 3-(4-iodophenyl)piperazin-2-one,
1869195-99-2,
AKOS034083007,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.115g/mol |
| Monoisotopic Mass | 301.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number