| CAS Number | 1154155-49-3 |
| Catalog Number | AG01BA49 |
| Chemical Name | Methyl 2-chloro-5-(chlorosulfonyl)-4-fluorobenzoate |
| IUPAC Name | methyl 2-chloro-5-chlorosulfonyl-4-fluorobenzoate |
| InChI | InChI=1S/C8H5Cl2FO4S/c1-15-8(12)4-2-7(16(10,13)14)6(11)3-5(4)9/h2-3H,1H3 |
| InChI Key | AULCPHOWJWXGCA-UHFFFAOYSA-N |
| MDL Number | MFCD12169489 |
| Molecular Formula | C8H5Cl2FO4S |
| Molecular Weight | 287.0923 |
| SMILES | COC(C1=C(Cl)C=C(F)C(S(Cl)(=O)=O)=C1)=O |
| Synonyms | methyl 2-chloro-5-(chlorosulfonyl)-4-fluorobenzoate,
1154155-49-3,
SCHEMBL18982096,
ZINC59261992,
AKOS009469423,
|
| 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