| CAS Number | 1154155-65-3 |
| Catalog Number | AG01B1X9 |
| Chemical Name | Methyl 5-chloro-3-(chlorosulfonyl)-2-fluorobenzoate |
| IUPAC Name | methyl 5-chloro-3-chlorosulfonyl-2-fluorobenzoate |
| InChI | InChI=1S/C8H5Cl2FO4S/c1-15-8(12)5-2-4(9)3-6(7(5)11)16(10,13)14/h2-3H,1H3 |
| InChI Key | HRDAGMMWOFQTLE-UHFFFAOYSA-N |
| MDL Number | MFCD12169485 |
| Molecular Formula | C8H5Cl2FO4S |
| Molecular Weight | 287.0923 |
| SMILES | COC(C1=C(F)C(S(Cl)(=O)=O)=CC(Cl)=C1)=O |
| Synonyms | methyl 5-chloro-3-(chlorosulfonyl)-2-fluorobenzoate,
1154155-65-3,
ZINC59261982,
AKOS009469257,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.082g/mol |
| Monoisotopic Mass | 285.927g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number