| CAS Number | 1340043-46-0 |
| Catalog Number | AG01C1CF |
| Chemical Name | Methyl 3-chloro-5-(chlorosulfonyl)-4-methylbenzoate |
| IUPAC Name | methyl 3-chloro-5-chlorosulfonyl-4-methylbenzoate |
| InChI | InChI=1S/C9H8Cl2O4S/c1-5-7(10)3-6(9(12)15-2)4-8(5)16(11,13)14/h3-4H,1-2H3 |
| InChI Key | FQJPREUPYYUQSQ-UHFFFAOYSA-N |
| MDL Number | MFCD18287199 |
| Molecular Formula | C9H8Cl2O4S |
| Molecular Weight | 283.1284 |
| SMILES | COC(C1=CC(S(Cl)(=O)=O)=C(C)C(Cl)=C1)=O |
| Synonyms | methyl 3-chloro-5-(chlorosulfonyl)-4-methylbenzoate,
1340043-46-0,
AKOS012496950,
ZINC108297966,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.119g/mol |
| Monoisotopic Mass | 281.952g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number