| CAS Number | 1299672-65-3 |
| Catalog Number | AG01EH96 |
| Chemical Name | tert-Butyl 4-[(5-bromo-2-fluorobenzene)sulfonyl]piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(5-bromo-2-fluorophenyl)sulfonylpiperazine-1-carboxylate |
| InChI | InChI=1S/C15H20BrFN2O4S/c1-15(2,3)23-14(20)18-6-8-19(9-7-18)24(21,22)13-10-11(16)4-5-12(13)17/h4-5,10H,6-9H2,1-3H3 |
| InChI Key | DJSYGAKLGMVDCE-UHFFFAOYSA-N |
| MDL Number | MFCD31621981 |
| Molecular Formula | C15H20BrFN2O4S |
| Molecular Weight | 423.2977 |
| SMILES | O=C(N1CCN(CC1)S(=O)(=O)c1cc(Br)ccc1F)OC(C)(C)C |
| Synonyms | tert-Butyl 4-[(5-bromo-2-fluorobenzene)sulfonyl]piperazine-1-carboxylate,
1299672-65-3,
AKOS007622767,
|
| Complexity | 553 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 422.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 423.297g/mol |
| Monoisotopic Mass | 422.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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