| CAS Number | 1156603-97-2 |
| Catalog Number | AG00HD1F(AGN-PC-0WQY79) |
| Chemical Name | 1-(tert-Butyl)-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 1-tert-butylpyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C7H11ClN2O2S/c1-7(2,3)10-5-6(4-9-10)13(8,11)12/h4-5H,1-3H3 |
| InChI Key | IPROHKMRBNXXDG-UHFFFAOYSA-N |
| MDL Number | MFCD12192703 |
| Molecular Formula | C7H11ClN2O2S |
| Molecular Weight | 222.6924 |
| SMILES | CC(N1N=CC(S(Cl)(=O)=O)=C1)(C)C |
| Synonyms | 1156603-97-2,
1-(tert-Butyl)-1H-pyrazole-4-sulfonyl chloride,
1-tert-Butyl-1H-pyrazole-4-sulfonyl chloride,
ZINC59312439,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.687g/mol |
| Monoisotopic Mass | 222.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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