| CAS Number | 2130454-39-4 |
| Catalog Number | AG01EHD2 |
| Chemical Name | 1-[(5-Bromo-2-fluorobenzene)sulfonyl]piperidin-4-ol |
| IUPAC Name | 1-(5-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol |
| InChI | InChI=1S/C11H13BrFNO3S/c12-8-1-2-10(13)11(7-8)18(16,17)14-5-3-9(15)4-6-14/h1-2,7,9,15H,3-6H2 |
| InChI Key | XZKAUAQPZMWQLK-UHFFFAOYSA-N |
| MDL Number | MFCD31621980 |
| Molecular Formula | C11H13BrFNO3S |
| Molecular Weight | 338.1932 |
| SMILES | OC1CCN(CC1)S(=O)(=O)c1cc(Br)ccc1F |
| Synonyms | 1-[(5-Bromo-2-fluorobenzene)sulfonyl]piperidin-4-ol,
2130454-39-4,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.191g/mol |
| Monoisotopic Mass | 336.978g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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