| CAS Number | 53394-82-4 |
| Catalog Number | AG019ZUV(AGN-PC-00OAMF) |
| Chemical Name | 1-Chloro-4-methanesulfonylbutane |
| IUPAC Name | 1-chloro-4-methylsulfonylbutane |
| InChI | InChI=1S/C5H11ClO2S/c1-9(7,8)5-3-2-4-6/h2-5H2,1H3 |
| InChI Key | ISOQQDOAZADWAC-UHFFFAOYSA-N |
| MDL Number | MFCD11934617 |
| Molecular Formula | C5H11ClO2S |
| Molecular Weight | 170.6576 |
| SMILES | O=S(CCCCCl)(C)=O |
| Synonyms | 1-chloro-4-methanesulfonylbutane,
53394-82-4,
SCHEMBL14680123,
ZINC32006613,
AKOS006147261,
NE44432,
RP23318,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.651g/mol |
| Monoisotopic Mass | 170.017g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number