| CAS Number | 1628604-33-0 |
| Catalog Number | AG01EHCH |
| Chemical Name | 1-((5-Bromo-2-fluorophenyl)sulfonyl)-4-methylpiperazine |
| IUPAC Name | 1-(5-bromo-2-fluorophenyl)sulfonyl-4-methylpiperazine |
| InChI | InChI=1S/C11H14BrFN2O2S/c1-14-4-6-15(7-5-14)18(16,17)11-8-9(12)2-3-10(11)13/h2-3,8H,4-7H2,1H3 |
| InChI Key | FTDFKCCGOIDLCV-UHFFFAOYSA-N |
| MDL Number | MFCD31653769 |
| Molecular Formula | C11H14BrFN2O2S |
| Molecular Weight | 337.2085 |
| SMILES | CN1CCN(CC1)S(=O)(=O)c1cc(Br)ccc1F |
| Synonyms | 1-((5-Bromo-2-fluorophenyl)sulfonyl)-4-methylpiperazine,
1628604-33-0,
SCHEMBL16064376,
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| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.207g/mol |
| Monoisotopic Mass | 335.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49A^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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