| CAS Number | 90841-19-3 |
| Catalog Number | AG01BHCI(AGN-PC-0WOUJW) |
| Chemical Name | 3-(4-bromophenyl)piperazin-2-one |
| IUPAC Name | 3-(4-bromophenyl)piperazin-2-one |
| InChI | InChI=1S/C10H11BrN2O/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 | CQRGSJDXPCSHAJ-UHFFFAOYSA-N |
| MDL Number | MFCD07373594 |
| Molecular Formula | C10H11BrN2O |
| Molecular Weight | 255.1111 |
| SMILES | BrC1=CC=C(C2C(=O)NCCN2)C=C1 |
| Synonyms | 3-(4-bromophenyl)piperazin-2-one,
90841-19-3,
3-(4-BROMO-PHENYL)-PIPERAZIN-2-ONE,
SCHEMBL17055320,
3-(4-Bromophenyl)-2-oxopiperazine,
AKOS011636376,
AB37482,
Z1948933268,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.115g/mol |
| Monoisotopic Mass | 254.005g/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 |
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Certificate of Analysis
Lot Number