| CAS Number | 1160248-50-9 |
| Catalog Number | AG00HD97(AGN-PC-0WG4IV) |
| Chemical Name | 1-Acetyl-6-Bromospiro[Indoline-3,4-Piperidin]-2-One |
| IUPAC Name | 1'-acetyl-6-bromospiro[1H-indole-3,4'-piperidine]-2-one |
| InChI | InChI=1S/C14H15BrN2O2/c1-9(18)17-6-4-14(5-7-17)11-3-2-10(15)8-12(11)16-13(14)19/h2-3,8H,4-7H2,1H3,(H,16,19) |
| InChI Key | OPYSQYDYYPSVQZ-UHFFFAOYSA-N |
| MDL Number | MFCD12198819 |
| Molecular Formula | C14H15BrN2O2 |
| Molecular Weight | 323.1851 |
| SMILES | C(C)(=O)N1CCC2(CC1)C(NC1=CC(=CC=C12)Br)=O |
| Synonyms | 1'-acetyl-6-bromospiro[indoline-3,4'-piperidin]-2-one,
1160248-50-9,
1-Acetyl-6-Bromospiro[Indoline-3,4-Piperidin]-2-One,
MFCD12198819,
AM804885,
CS-0035999,
1'-acetyl-6-bromospiro[1H-indole-3,4'-piperidine]-2-one,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.19g/mol |
| Monoisotopic Mass | 322.032g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number