| CAS Number | 1078162-91-0 |
| Catalog Number | AG019LEK |
| Chemical Name | N-(4-bromophenyl)pyrrolidine-2-carboxamide hydrochloride |
| IUPAC Name | N-(4-bromophenyl)pyrrolidine-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C11H13BrN2O.ClH/c12-8-3-5-9(6-4-8)14-11(15)10-2-1-7-13-10;/h3-6,10,13H,1-2,7H2,(H,14,15);1H |
| InChI Key | JNSCLWAXDFZPDD-UHFFFAOYSA-N |
| MDL Number | MFCD09863853 |
| Molecular Formula | C11H14BrClN2O |
| Molecular Weight | 305.5987 |
| SMILES | Cl.BrC1=CC=C(NC(C2NCCC2)=O)C=C1 |
| Synonyms | N-(4-bromophenyl)pyrrolidine-2-carboxamide hydrochloride,
1078162-91-0,
AC1Q38NL,
SCHEMBL15017559,
CTK7F9287,
AKOS026850287,
MCULE-4220806789,
NE55958,
EN300-30980,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.6g/mol |
| Monoisotopic Mass | 303.998g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number