| CAS Number | 924859-48-3 |
| Catalog Number | AG01BABO |
| Chemical Name | ethyl 5-(chlorosulfonyl)-2-methylbenzoate |
| IUPAC Name | ethyl 5-chlorosulfonyl-2-methylbenzoate |
| InChI | InChI=1S/C10H11ClO4S/c1-3-15-10(12)9-6-8(16(11,13)14)5-4-7(9)2/h4-6H,3H2,1-2H3 |
| InChI Key | DWBXCYREJOEVOL-UHFFFAOYSA-N |
| MDL Number | MFCD11057847 |
| Molecular Formula | C10H11ClO4S |
| Molecular Weight | 262.7099 |
| SMILES | CCOC(C1=C(C)C=CC(S(Cl)(=O)=O)=C1)=O |
| Synonyms | ethyl 5-(chlorosulfonyl)-2-methylbenzoate,
924859-48-3,
ZINC59233860,
AKOS002670985,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.704g/mol |
| Monoisotopic Mass | 262.007g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number