| CAS Number | 91064-23-2 |
| Catalog Number | AG00H0CK(AGN-PC-0WOK6N) |
| Chemical Name | 1-(2,4-Dichlorophenyl)-5-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H9Cl2NO3/c12-7-1-2-9(8(13)4-7)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5H2,(H,16,17) |
| InChI Key | GOCPCJNONCMHLZ-UHFFFAOYSA-N |
| MDL Number | MFCD04989718 |
| Molecular Formula | C11H9Cl2NO3 |
| Molecular Weight | 274.1001 |
| SMILES | OC(=O)C1CC(=O)N(C1)c1ccc(cc1Cl)Cl |
| Synonyms | 1-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxylic acid,
91064-23-2,
AC1MGTJD,
CTK7I6557,
PKCBB_01507,
ALBB-030641,
MFCD04989718,
STL302941,
AKOS000125090,
AKOS016315179,
MCULE-6123663273,
BC4147801,
ST50208082,
SR-01000287252,
SR-01000287252-1,
CID2966413,
1-(2,4-dichlorophenyl)-5-oxo-pyrrolidine-3-carboxylic Acid,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.097g/mol |
| Monoisotopic Mass | 272.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number