| CAS Number | 188624-92-2 |
| Catalog Number | AG002H2I(AGN-PC-00P1UU) |
| Chemical Name | 7-Tosyl-7-azabicyclo[2.2.1]heptane |
| IUPAC Name | 7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane |
| InChI | InChI=1S/C13H17NO2S/c1-10-2-8-13(9-3-10)17(15,16)14-11-4-5-12(14)7-6-11/h2-3,8-9,11-12H,4-7H2,1H3 |
| InChI Key | ZDKWEHPFWCXDCU-UHFFFAOYSA-N |
| MDL Number | MFCD30527653 |
| Molecular Formula | C13H17NO2S |
| Molecular Weight | 251.3446 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)N1C2CCC1CC2 |
| Synonyms | 7-Tosyl-7-azabicyclo[2.2.1]heptane,
188624-92-2,
7-Azabicyclo[2.2.1]heptane, 7-[(4-methylphenyl)sulfonyl]-,
SCHEMBL13812162,
CTK0A3967,
DTXSID00572191,
7-(4-Methylbenzene-1-sulfonyl)-7-azabicyclo[2.2.1]heptane,
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| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.344g/mol |
| Monoisotopic Mass | 251.098g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number