| CAS Number | 932854-23-4 |
| Catalog Number | AG01B9FU |
| Chemical Name | methyl 5-chloro-3-(chlorosulfonyl)-2-methoxybenzoate |
| IUPAC Name | methyl 5-chloro-3-chlorosulfonyl-2-methoxybenzoate |
| InChI | InChI=1S/C9H8Cl2O5S/c1-15-8-6(9(12)16-2)3-5(10)4-7(8)17(11,13)14/h3-4H,1-2H3 |
| InChI Key | XJUBQEQOGYVOIN-UHFFFAOYSA-N |
| MDL Number | MFCD10485914 |
| Molecular Formula | C9H8Cl2O5S |
| Molecular Weight | 299.1278 |
| SMILES | COC(C1=C(OC)C(S(Cl)(=O)=O)=CC(Cl)=C1)=O |
| Synonyms | methyl 5-chloro-3-(chlorosulfonyl)-2-methoxybenzoate,
932854-23-4,
AKOS009313709,
ZINC106460544,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.118g/mol |
| Monoisotopic Mass | 297.947g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number