| CAS Number | 1270831-90-7 |
| Catalog Number | AG01A3P0 |
| Chemical Name | 1-(4-Chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H9ClFNO3/c12-8-2-1-7(4-9(8)13)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5H2,(H,16,17) |
| InChI Key | YXJIDESZQKFMAO-UHFFFAOYSA-N |
| MDL Number | MFCD16179097 |
| Molecular Formula | C11H9ClFNO3 |
| Molecular Weight | 257.6455 |
| SMILES | OC(C1CC(=O)N(C2=CC(F)=C(Cl)C=C2)C1)=O |
| Synonyms | 1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid,
1270831-90-7,
AKOS005959083,
MCULE-5253552261,
NE37639,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.645g/mol |
| Monoisotopic Mass | 257.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number