| CAS Number | 1330756-16-5 |
| Catalog Number | AG00J2EG |
| Chemical Name | 1,4-dioxan-2-ylmethanesulfonyl chloride |
| IUPAC Name | 1,4-dioxan-2-ylmethanesulfonyl chloride |
| InChI | InChI=1S/C5H9ClO4S/c6-11(7,8)4-5-3-9-1-2-10-5/h5H,1-4H2 |
| InChI Key | RYHNSCZLGCNGKW-UHFFFAOYSA-N |
| MDL Number | MFCD19982717 |
| Molecular Formula | C5H9ClO4S |
| Molecular Weight | 200.6406 |
| SMILES | S(Cl)(=O)(=O)CC1COCCO1 |
| Synonyms | 1,4-dioxan-2-ylmethanesulfonyl chloride,
1330756-16-5,
(1,4-Dioxan-2-yl)methanesulfonyl chloride,
MFCD19982717,
AKOS030631090,
Y-8115,
1,4-Dioxan-2-ylmethanesulfonyl chloride, AldrichCPR,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.633g/mol |
| Monoisotopic Mass | 199.991g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
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