| CAS Number | 923248-40-2 |
| Catalog Number | AG01AAZ9 |
| Chemical Name | 4-[(4-Bromo-2-fluorophenyl)methyl]piperazin-2-one |
| IUPAC Name | 4-[(4-bromo-2-fluorophenyl)methyl]piperazin-2-one |
| InChI | InChI=1S/C11H12BrFN2O/c12-9-2-1-8(10(13)5-9)6-15-4-3-14-11(16)7-15/h1-2,5H,3-4,6-7H2,(H,14,16) |
| InChI Key | PWOOXMDPDXTYKJ-UHFFFAOYSA-N |
| MDL Number | MFCD08521935 |
| Molecular Formula | C11H12BrFN2O |
| Molecular Weight | 287.1282 |
| SMILES | FC1=C(CN2CC(=O)NCC2)C=CC(Br)=C1 |
| Synonyms | 4-[(4-bromo-2-fluorophenyl)methyl]piperazin-2-one,
923248-40-2,
AC1PHB2E,
AC1Q4L7Z,
ZINC57218710,
AKOS001297929,
MCULE-2728667815,
NE29229,
EN300-69984,
Z46334219,
CID8962154,
4-[(4-bromo-2-fluoro-phenyl)methyl]piperazin-2-one,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.132g/mol |
| Monoisotopic Mass | 286.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number