| CAS Number | 1284357-82-9 |
| Catalog Number | AG01AFZ2 |
| Chemical Name | 5-chloro-2-[(oxan-2-yl)methoxy]benzene-1-sulfonyl chloride |
| IUPAC Name | 5-chloro-2-(oxan-2-ylmethoxy)benzenesulfonyl chloride |
| InChI | InChI=1S/C12H14Cl2O4S/c13-9-4-5-11(12(7-9)19(14,15)16)18-8-10-3-1-2-6-17-10/h4-5,7,10H,1-3,6,8H2 |
| InChI Key | FANRFUXTQYAXQR-UHFFFAOYSA-N |
| MDL Number | MFCD17301617 |
| Molecular Formula | C12H14Cl2O4S |
| Molecular Weight | 325.2082 |
| SMILES | ClC1=CC(S(Cl)(=O)=O)=C(OCC2OCCCC2)C=C1 |
| Synonyms | 5-chloro-2-(oxan-2-ylmethoxy)benzene-1-sulfonyl chloride,
1284357-82-9,
AKOS011383919,
NE25492,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.2g/mol |
| Monoisotopic Mass | 323.999g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number