| CAS Number | 1017417-38-7 |
| Catalog Number | AG019WZA |
| Chemical Name | 1-(2,5-Dichlorophenyl)-2-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(13)9(5-6)14-4-3-7(10(14)15)11(16)17/h1-2,5,7H,3-4H2,(H,16,17) |
| InChI Key | AGIGPQDMAKFWBZ-UHFFFAOYSA-N |
| MDL Number | MFCD09814355 |
| Molecular Formula | C11H9Cl2NO3 |
| Molecular Weight | 274.1001 |
| SMILES | OC(C1C(=O)N(C2=C(Cl)C=CC(Cl)=C2)CC1)=O |
| Synonyms | 1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carboxylic acid,
1017417-38-7,
AC1Q74KK,
CTK7I9916,
AKOS000169708,
AKOS022203236,
MCULE-9966495770,
NE38752,
EN300-53595,
Z812516896,
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number