| CAS Number | 1267413-08-0 |
| Catalog Number | AG01BD0M |
| Chemical Name | 2-(3,4-dichlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 2-(3,4-dichlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C12H11Cl2NO3/c1-15-10(16)5-7(12(17)18)11(15)6-2-3-8(13)9(14)4-6/h2-4,7,11H,5H2,1H3,(H,17,18) |
| InChI Key | JLGQDMPNLRDLAG-UHFFFAOYSA-N |
| MDL Number | MFCD19080922 |
| Molecular Formula | C12H11Cl2NO3 |
| Molecular Weight | 288.1266 |
| SMILES | CN1C(=O)CC(C(O)=O)C1C1=CC(Cl)=C(Cl)C=C1 |
| Synonyms | 2-(3,4-dichlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid,
1267413-08-0,
AKOS013384527,
MCULE-8056018909,
NE43450,
Z1837073415,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.124g/mol |
| Monoisotopic Mass | 287.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number