| CAS Number | 18944-99-5 |
| Catalog Number | AG01C2D8 |
| Chemical Name | methyl 2-[2-(chlorosulfonyl)-5-methoxyphenyl]acetate |
| IUPAC Name | methyl 2-(2-chlorosulfonyl-5-methoxyphenyl)acetate |
| InChI | InChI=1S/C10H11ClO5S/c1-15-8-3-4-9(17(11,13)14)7(5-8)6-10(12)16-2/h3-5H,6H2,1-2H3 |
| InChI Key | KEEBPHZBDNEOIW-UHFFFAOYSA-N |
| MDL Number | MFCD29054948 |
| Molecular Formula | C10H11ClO5S |
| Molecular Weight | 278.7093 |
| SMILES | COC(CC1=C(S(Cl)(=O)=O)C=CC(OC)=C1)=O |
| Synonyms | methyl 2-[2-(chlorosulfonyl)-5-methoxyphenyl]acetate,
18944-99-5,
ZINC299805360,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.703g/mol |
| Monoisotopic Mass | 278.002g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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