| CAS Number | 1334149-48-2 |
| Catalog Number | AG01AJRO |
| Chemical Name | 5-(3-Chlorophenyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one |
| IUPAC Name | 5-(3-chlorophenyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one |
| InChI | InChI=1S/C12H14ClNO2/c1-14-11(16)6-9(7-15)12(14)8-3-2-4-10(13)5-8/h2-5,9,12,15H,6-7H2,1H3 |
| InChI Key | XYPXKAUXYJTSMD-UHFFFAOYSA-N |
| MDL Number | MFCD19686352 |
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.6981 |
| SMILES | CN1C(=O)CC(CO)C1C1=CC(Cl)=CC=C1 |
| Synonyms | 5-(3-chlorophenyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one,
1334149-48-2,
NE35375,
EN300-81796,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.699g/mol |
| Monoisotopic Mass | 239.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number