| CAS Number | 28311-23-1 |
| Catalog Number | AG00C3G4(AGN-PC-0WBQFY) |
| Chemical Name | 4-(4-Bromophenyl)pyrrolidine-2-one |
| IUPAC Name | 4-(4-bromophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H10BrNO/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8/h1-4,8H,5-6H2,(H,12,13) |
| InChI Key | JHTJSUCXKXNRAX-UHFFFAOYSA-N |
| MDL Number | MFCD15526988 |
| Molecular Formula | C10H10BrNO |
| Molecular Weight | 240.0965 |
| SMILES | BrC1=CC=C(C=C1)C1CC(NC1)=O |
| Synonyms | 4-(4-BROMOPHENYL)PYRROLIDIN-2-ONE,
28311-23-1,
1353143-39-1,
1384268-94-3,
SCHEMBL481990,
DTXSID40677750,
4-(4-bromophenyl)-2-pyrrolidinone,
4-(4-Bromophenyl)pyrrolidine-2-one,
MFCD15526988,
AKOS015958154,
F2147-0755,
(R)-4-(4-BROMOPHENYL)PYRROLIDIN-2-ONE,
(S)-4-(4-BROMOPHENYL)PYRROLIDIN-2-ONE,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.1g/mol |
| Monoisotopic Mass | 238.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number