| CAS Number | 1790694-16-4 |
| Catalog Number | AG01EHC9 |
| Chemical Name | 1-[(5-Bromo-2-fluorobenzene)sulfonyl]piperidine |
| IUPAC Name | 1-(5-bromo-2-fluorophenyl)sulfonylpiperidine |
| InChI | InChI=1S/C11H13BrFNO2S/c12-9-4-5-10(13)11(8-9)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2 |
| InChI Key | XOGVIDXDGBGGKK-UHFFFAOYSA-N |
| MDL Number | MFCD31621982 |
| Molecular Formula | C11H13BrFNO2S |
| Molecular Weight | 322.1938 |
| SMILES | Fc1ccc(cc1S(=O)(=O)N1CCCCC1)Br |
| Synonyms | 1-[(5-Bromo-2-fluorobenzene)sulfonyl]piperidine,
1790694-16-4,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.192g/mol |
| Monoisotopic Mass | 320.983g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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