| CAS Number | 324776-77-4 |
| Catalog Number | AG00I65J(AGN-PC-0WOHYG) |
| Chemical Name | 1,4-Bis[(3-Iodophenyl)carbonyl]piperazine |
| IUPAC Name | [4-(3-iodobenzoyl)piperazin-1-yl]-(3-iodophenyl)methanone |
| InChI | InChI=1S/C18H16I2N2O2/c19-15-5-1-3-13(11-15)17(23)21-7-9-22(10-8-21)18(24)14-4-2-6-16(20)12-14/h1-6,11-12H,7-10H2 |
| InChI Key | OKBFMRUDRLALFB-UHFFFAOYSA-N |
| MDL Number | MFCD01022223 |
| Molecular Formula | C18H16I2N2O2 |
| Molecular Weight | 546.1408 |
| SMILES | Ic1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1cccc(c1)I |
| Synonyms | 1,4-Bis[(3-Iodophenyl)carbonyl]piperazine,
324776-77-4,
ZINC100450949,
|
| Complexity | 424 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 545.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 546.147g/mol |
| Monoisotopic Mass | 545.93g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number