| CAS Number | 2126144-34-9 |
| Catalog Number | AG01EL8C |
| Chemical Name | (2S)-2-[(4-bromophenoxy)methyl]pyrrolidine hydrochloride |
| IUPAC Name | (2S)-2-[(4-bromophenoxy)methyl]pyrrolidine;hydrochloride |
| InChI | InChI=1S/C11H14BrNO.ClH/c12-9-3-5-11(6-4-9)14-8-10-2-1-7-13-10;/h3-6,10,13H,1-2,7-8H2;1H/t10-;/m0./s1 |
| InChI Key | HPADWEBXVXYOAT-PPHPATTJSA-N |
| MDL Number | MFCD30752557 |
| Molecular Formula | C11H15BrClNO |
| Molecular Weight | 292.5999 |
| SMILES | Cl.BrC1=CC=C(OC[C@H]2NCCC2)C=C1 |
| Synonyms | (2S)-2-[(4-Bromophenoxy)methyl]pyrrolidine hydrochloride,
2126144-34-9,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.00255g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.6g/mol |
| Monoisotopic Mass | 291.00255g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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