| CAS Number | 1331186-01-6 |
| Catalog Number | AG009YGE(AGN-PC-0WCTOV) |
| Chemical Name | 1-((4-Bromo-2-fluorophenyl)sulfonyl)-4-methylpiperidine |
| IUPAC Name | 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidine |
| InChI | InChI=1S/C12H15BrFNO2S/c1-9-4-6-15(7-5-9)18(16,17)12-3-2-10(13)8-11(12)14/h2-3,8-9H,4-7H2,1H3 |
| InChI Key | UGABWPDHLPCAPB-UHFFFAOYSA-N |
| MDL Number | MFCD20037344 |
| Molecular Formula | C12H15BrFNO2S |
| Molecular Weight | 336.2204 |
| SMILES | BrC1=CC(=C(C=C1)S(=O)(=O)N1CCC(CC1)C)F |
| Synonyms | 1-((4-bromo-2-fluorophenyl)sulfonyl)-4-methylpiperidine,
1331186-01-6,
1-[(4-bromo-2-fluorophenyl)sulfonyl]-4-methylpiperidine,
ZINC68741412,
AM86511,
MCULE-1490995413,
AO-854/43462611,
UGABWPDHLPCAPB-UHFFFAOYSA-N,
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| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.219g/mol |
| Monoisotopic Mass | 334.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number