| CAS Number | 1188263-58-2 |
| Catalog Number | AG00HES3 |
| Chemical Name | 3-(2-Chlorobenzyl)pyrrolidine oxalate |
| IUPAC Name | 3-[(2-chlorophenyl)methyl]pyrrolidine;oxalic acid |
| InChI | InChI=1S/C11H14ClN.C2H2O4/c12-11-4-2-1-3-10(11)7-9-5-6-13-8-9;3-1(4)2(5)6/h1-4,9,13H,5-8H2;(H,3,4)(H,5,6) |
| InChI Key | DOBUHHQDOVDBFQ-UHFFFAOYSA-N |
| MDL Number | MFCD04117743 |
| Molecular Formula | C13H16ClNO4 |
| Molecular Weight | 285.7234 |
| SMILES | OC(=O)C(O)=O.ClC1=CC=CC=C1CC1CCNC1 |
| Synonyms | 3-(2-Chlorobenzyl)pyrrolidine oxalate,
1188263-58-2,
3-[(2-chlorophenyl)methyl]pyrrolidine; oxalic acid,
AC1MC364,
SCHEMBL3544420,
CTK7I3843,
DOBUHHQDOVDBFQ-UHFFFAOYSA-N,
3ABX-S02-4,
ZX-AT022447,
3-(2-Chlorobenzyl)pyrrolidineoxalate,
AR1436,
MFCD04117743,
AS-45122,
X-3326,
CID2735373,
IUPAC: 3-[(2-chlorophenyl)methyl]pyrrolidine; Oxalic Acid,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.724g/mol |
| Monoisotopic Mass | 285.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number