| CAS Number | 1909309-28-9 |
| Catalog Number | AG01C3HH |
| Chemical Name | 2-[(3-bromophenyl)methyl]pyrrolidine hydrochloride |
| IUPAC Name | 2-[(3-bromophenyl)methyl]pyrrolidine;hydrochloride |
| InChI | InChI=1S/C11H14BrN.ClH/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11;/h1,3-4,7,11,13H,2,5-6,8H2;1H |
| InChI Key | CHPVUZFTLHPEPU-UHFFFAOYSA-N |
| MDL Number | MFCD29060461 |
| Molecular Formula | C11H15BrClN |
| Molecular Weight | 276.6005 |
| SMILES | Cl.BrC=1C=C(C=CC1)CC1NCCC1 |
| Synonyms | 2-[(3-bromophenyl)methyl]pyrrolidine hydrochloride,
1909309-28-9,
Z2350903945,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.602g/mol |
| Monoisotopic Mass | 275.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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