| CAS Number | 1827960-20-2 |
| Catalog Number | AG01B2GQ |
| Chemical Name | 1-[(4-Chlorophenyl)methyl]pyrrolidine-3-carboxylic acid hydrochloride |
| IUPAC Name | 1-[(4-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C12H14ClNO2.ClH/c13-11-3-1-9(2-4-11)7-14-6-5-10(8-14)12(15)16;/h1-4,10H,5-8H2,(H,15,16);1H |
| InChI Key | DJPYAFLBOCEWEJ-UHFFFAOYSA-N |
| MDL Number | MFCD29991602 |
| Molecular Formula | C12H15Cl2NO2 |
| Molecular Weight | 276.159 |
| SMILES | Cl.OC(C1CN(CC2=CC=C(Cl)C=C2)CC1)=O |
| Synonyms | 1-[(4-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid hydrochloride,
1827960-20-2,
AKOS025939153,
Z1459883986,
1-(4-Chlorobenzyl)pyrrolidine-3-carboxylic acid hydrochloride,
1086375-11-2,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.157g/mol |
| Monoisotopic Mass | 275.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number