| CAS Number | 1018520-20-1 |
| Catalog Number | AG01B33Y |
| Chemical Name | (2,3-dihydro-1,4-benzodioxin-2-yl)methanesulfonyl chloride |
| IUPAC Name | 2,3-dihydro-1,4-benzodioxin-3-ylmethanesulfonyl chloride |
| InChI | InChI=1S/C9H9ClO4S/c10-15(11,12)6-7-5-13-8-3-1-2-4-9(8)14-7/h1-4,7H,5-6H2 |
| InChI Key | FPDPLSQAWVJKJD-UHFFFAOYSA-N |
| MDL Number | MFCD10015221 |
| Molecular Formula | C9H9ClO4S |
| Molecular Weight | 248.6834 |
| SMILES | ClS(CC1OC2=C(C=CC=C2)OC1)(=O)=O |
| Synonyms | 1018520-20-1,
(2,3-dihydro-1,4-benzodioxin-2-yl)methanesulfonyl chloride,
AKOS006332834,
2,3-dihydro-1,4-benzodioxin-2-ylmethanesulfonyl chloride,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.991008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.68g/mol |
| Monoisotopic Mass | 247.991008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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