| CAS Number | 171054-81-2 |
| Catalog Number | AG01EFND(AGN-PC-01XPXY) |
| Chemical Name | Ethyl 1-(4-chlorophenyl)-2-oxopyrrolidine-3-carboxylate |
| IUPAC Name | ethyl 1-(4-chlorophenyl)-2-oxopyrrolidine-3-carboxylate |
| InChI | InChI=1S/C13H14ClNO3/c1-2-18-13(17)11-7-8-15(12(11)16)10-5-3-9(14)4-6-10/h3-6,11H,2,7-8H2,1H3 |
| InChI Key | KLQCQBLFKJYBGR-UHFFFAOYSA-N |
| MDL Number | MFCD30472065 |
| Molecular Formula | C13H14ClNO3 |
| Molecular Weight | 267.7082 |
| SMILES | CCOC(=O)C1CCN(C1=O)c1ccc(Cl)cc1 |
| Synonyms | Ethyl 1-(4-chlorophenyl)-2-oxopyrrolidine-3-carboxylate,
171054-81-2,
1-(4-chlorophenyl)-3-ethoxycarbonyl-2-pyrrolidinone,
SCHEMBL6936335,
KLQCQBLFKJYBGR-UHFFFAOYSA-N,
MFCD30472065,
AKOS030628281,
CS-0039382,
N/A,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.709g/mol |
| Monoisotopic Mass | 267.066g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number