| CAS Number | 1864052-09-4 |
| Catalog Number | AG01AT84 |
| Chemical Name | 3-[(4-bromophenyl)sulfanyl]pyrrolidine hydrochloride |
| IUPAC Name | 3-(4-bromophenyl)sulfanylpyrrolidine;hydrochloride |
| InChI | InChI=1S/C10H12BrNS.ClH/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10;/h1-4,10,12H,5-7H2;1H |
| InChI Key | CXBWUGRNGFVNBW-UHFFFAOYSA-N |
| MDL Number | MFCD26793084 |
| Molecular Formula | C10H13BrClNS |
| Molecular Weight | 294.6389 |
| SMILES | Cl.BrC1=CC=C(SC2CNCC2)C=C1 |
| Synonyms | 3-[(4-bromophenyl)sulfanyl]pyrrolidine hydrochloride,
1864052-09-4,
AKOS026746803,
F2167-0419,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.635g/mol |
| Monoisotopic Mass | 292.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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