| CAS Number | 744253-60-9 |
| Catalog Number | AG01EKHR(AGN-PC-0OHGGK) |
| Chemical Name | 1-(3,5-Dichlorobenzoyl)pyrrolidine-2-carboxylic acid |
| IUPAC Name | 1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C12H11Cl2NO3/c13-8-4-7(5-9(14)6-8)11(16)15-3-1-2-10(15)12(17)18/h4-6,10H,1-3H2,(H,17,18) |
| InChI Key | RANFRUCLCQSCQN-UHFFFAOYSA-N |
| MDL Number | MFCD09045433 |
| Molecular Formula | C12H11Cl2NO3 |
| Molecular Weight | 288.1266 |
| SMILES | OC(=O)C1CCCN1C(=O)c1cc(Cl)cc(c1)Cl |
| Synonyms | 1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylic acid,
AC1Q74J4,
CTK7I9587,
AKOS000129138,
AKOS016885004,
MCULE-1815391196,
NE21047,
EN300-35887,
744253-60-9,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.124g/mol |
| Monoisotopic Mass | 287.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number