| CAS Number | 1249687-64-6 |
| Catalog Number | AG019XIJ(AGN-PC-0WO7K6) |
| Chemical Name | (1-acetylpiperidin-4-yl)methanesulfonyl chloride |
| IUPAC Name | (1-acetylpiperidin-4-yl)methanesulfonyl chloride |
| InChI | InChI=1S/C8H14ClNO3S/c1-7(11)10-4-2-8(3-5-10)6-14(9,12)13/h8H,2-6H2,1H3 |
| InChI Key | TVZIXXBSPCHQHQ-UHFFFAOYSA-N |
| MDL Number | MFCD14688475 |
| Molecular Formula | C8H14ClNO3S |
| Molecular Weight | 239.7197 |
| SMILES | CC(N1CCC(CS(Cl)(=O)=O)CC1)=O |
| Synonyms | (1-acetylpiperidin-4-yl)methanesulfonyl chloride,
1249687-64-6,
AKOS010807719,
ZINC100596395,
NE59423,
(1-Acetyl-4-piperidinyl)methanesulfonyl chloride,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.714g/mol |
| Monoisotopic Mass | 239.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number