| CAS Number | 926219-28-5 |
| Catalog Number | AG019M73 |
| Chemical Name | 5-chloro-3-(chlorosulfonyl)-2-fluorobenzoic acid |
| IUPAC Name | 5-chloro-3-chlorosulfonyl-2-fluorobenzoic acid |
| InChI | InChI=1S/C7H3Cl2FO4S/c8-3-1-4(7(11)12)6(10)5(2-3)15(9,13)14/h1-2H,(H,11,12) |
| InChI Key | IIBGASARFLHIPQ-UHFFFAOYSA-N |
| MDL Number | MFCD09048603 |
| Molecular Formula | C7H3Cl2FO4S |
| Molecular Weight | 273.0657 |
| SMILES | OC(C1=C(F)C(S(Cl)(=O)=O)=CC(Cl)=C1)=O |
| Synonyms | 5-chloro-3-(chlorosulfonyl)-2-fluorobenzoic acid,
926219-28-5,
AC1Q72AR,
SCHEMBL15575082,
CTK6G6326,
AKOS000132130,
ZINC100514488,
MCULE-4629698193,
NE50598,
EN300-35191,
5-chloro-3-(chlorosulfonyl)-2-fluorobenzoic acid, AldrichCPR,
|
| 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