| CAS Number | 1037241-40-9 |
| Catalog Number | AG01DX7N |
| Chemical Name | 6-Tert-butylpyridine-3-sulfonyl chloride |
| IUPAC Name | 6-tert-butylpyridine-3-sulfonyl chloride |
| InChI | InChI=1S/C9H12ClNO2S/c1-9(2,3)8-5-4-7(6-11-8)14(10,12)13/h4-6H,1-3H3 |
| InChI Key | GXCPPSQXZZYTJP-UHFFFAOYSA-N |
| MDL Number | MFCD19201254 |
| Molecular Formula | C9H12ClNO2S |
| Molecular Weight | 233.7151 |
| SMILES | CC(C1=NC=C(S(Cl)(=O)=O)C=C1)(C)C |
| Synonyms | 6-tert-butylpyridine-3-sulfonyl chloride,
1037241-40-9,
AKOS006334625,
ZINC104541191,
FT-0718073,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.71g/mol |
| Monoisotopic Mass | 233.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number