| CAS Number | 1181448-60-1 |
| Catalog Number | AG01AHO0 |
| Chemical Name | 2-(4-Bromophenoxy)-1-(piperazin-1-yl)ethan-1-one |
| IUPAC Name | 2-(4-bromophenoxy)-1-piperazin-1-ylethanone |
| InChI | InChI=1S/C12H15BrN2O2/c13-10-1-3-11(4-2-10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2 |
| InChI Key | DTXZJPBYINJULD-UHFFFAOYSA-N |
| MDL Number | MFCD01409051 |
| Molecular Formula | C12H15BrN2O2 |
| Molecular Weight | 299.1637 |
| SMILES | BrC1=CC=C(OCC(N2CCNCC2)=O)C=C1 |
| Synonyms | 2-(4-bromophenoxy)-1-(piperazin-1-yl)ethan-1-one,
1181448-60-1,
SCHEMBL653051,
ZINC32066559,
AKOS009115079,
MCULE-6774275973,
NE31684,
EN300-75293,
Z228587114,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.03169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.16g/mol |
| Monoisotopic Mass | 298.03169g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number