| CAS Number | 766532-96-1 |
| Catalog Number | AG01A0CH(AGN-PC-08XZHO) |
| Chemical Name | 2-Chloro-5-(chlorosulfonyl)-3-fluorobenzoic acid |
| IUPAC Name | 2-chloro-5-chlorosulfonyl-3-fluorobenzoic acid |
| InChI | InChI=1S/C7H3Cl2FO4S/c8-6-4(7(11)12)1-3(2-5(6)10)15(9,13)14/h1-2H,(H,11,12) |
| InChI Key | BRTMUPFAXVMUIP-UHFFFAOYSA-N |
| MDL Number | MFCD16817592 |
| Molecular Formula | C7H3Cl2FO4S |
| Molecular Weight | 273.0657 |
| SMILES | OC(C1=C(Cl)C(F)=CC(S(Cl)(=O)=O)=C1)=O |
| Synonyms | 2-chloro-5-(chlorosulfonyl)-3-fluorobenzoic acid,
766532-96-1,
AKOS017549231,
ZINC100450793,
NE29437,
2-Chloro-3-fluoro-5-(chlorosulfonyl)benzoic acid,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.911g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.055g/mol |
| Monoisotopic Mass | 271.911g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number