| CAS Number | 1773566-71-4 |
| Catalog Number | AG01DTFM |
| Chemical Name | 1-((4-Bromo-2-fluorophenyl)sulfonyl)pyrrolidine |
| IUPAC Name | 1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidine |
| InChI | InChI=1S/C10H11BrFNO2S/c11-8-3-4-10(9(12)7-8)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2 |
| InChI Key | DPVBSFXREBRVBE-UHFFFAOYSA-N |
| MDL Number | MFCD27824718 |
| Molecular Formula | C10H11BrFNO2S |
| Molecular Weight | 308.1672 |
| SMILES | O=S(N1CCCC1)(C2=CC=C(Br)C=C2F)=O |
| Synonyms | 1-((4-bromo-2-fluorophenyl)sulfonyl)pyrrolidine,
1773566-71-4,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.165g/mol |
| Monoisotopic Mass | 306.968g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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