| CAS Number | 1249730-95-7 |
| Catalog Number | AG01BXEX |
| Chemical Name | 3-amino-1-(4-chloro-2-fluorophenyl)pyrrolidin-2-one |
| IUPAC Name | 3-amino-1-(4-chloro-2-fluorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H10ClFN2O/c11-6-1-2-9(7(12)5-6)14-4-3-8(13)10(14)15/h1-2,5,8H,3-4,13H2 |
| InChI Key | LSIFBMWPCIURGG-UHFFFAOYSA-N |
| MDL Number | MFCD14689930 |
| Molecular Formula | C10H10ClFN2O |
| Molecular Weight | 228.6506 |
| SMILES | NC1C(=O)N(C2=C(F)C=C(Cl)C=C2)CC1 |
| Synonyms | 3-amino-1-(4-chloro-2-fluorophenyl)pyrrolidin-2-one,
1249730-95-7,
AKOS010814370,
Z2689172047,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.651g/mol |
| Monoisotopic Mass | 228.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number