| CAS Number | 1820666-21-4 |
| Catalog Number | AG00I0QF |
| Chemical Name | 1-(3-Bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide |
| IUPAC Name | 1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide |
| InChI | InChI=1S/C12H13BrN2O2/c1-14-12(17)8-5-11(16)15(7-8)10-4-2-3-9(13)6-10/h2-4,6,8H,5,7H2,1H3,(H,14,17) |
| InChI Key | JJXADWCMFYFYSY-UHFFFAOYSA-N |
| MDL Number | MFCD27936849 |
| Molecular Formula | C12H13BrN2O2 |
| Molecular Weight | 297.1478 |
| SMILES | CNC(=O)C1CC(=O)N(C1)c1cccc(c1)Br |
| Synonyms | 1-(3-Bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide,
1820666-21-4,
AKOS027370573,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.152g/mol |
| Monoisotopic Mass | 296.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number