| CAS Number | 1017427-84-7 |
| Catalog Number | AG019MEQ |
| Chemical Name | 1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H9Cl2NO3/c12-6-3-7(13)5-8(4-6)14-2-1-9(10(14)15)11(16)17/h3-5,9H,1-2H2,(H,16,17) |
| InChI Key | NOEUDKREIFBPGB-UHFFFAOYSA-N |
| MDL Number | MFCD09815849 |
| Molecular Formula | C11H9Cl2NO3 |
| Molecular Weight | 274.1001 |
| SMILES | OC(C1C(=O)N(C2=CC(Cl)=CC(Cl)=C2)CC1)=O |
| Synonyms | 1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carboxylic acid,
1017427-84-7,
AC1Q74KN,
CTK7I9915,
AKOS000163688,
AKOS016902864,
MCULE-3360133017,
NE48661,
EN300-35964,
|
| Complexity | 327 |
| 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