| CAS Number | 716361-76-1 |
| Catalog Number | AG019ZXQ |
| Chemical Name | 3-(Chlorosulfonyl)-4,5-difluorobenzoic acid |
| IUPAC Name | 3-chlorosulfonyl-4,5-difluorobenzoic acid |
| InChI | InChI=1S/C7H3ClF2O4S/c8-15(13,14)5-2-3(7(11)12)1-4(9)6(5)10/h1-2H,(H,11,12) |
| InChI Key | LYRVUABWLWZHNK-UHFFFAOYSA-N |
| MDL Number | MFCD09043134 |
| Molecular Formula | C7H3ClF2O4S |
| Molecular Weight | 256.6111 |
| SMILES | OC(C1=CC(S(Cl)(=O)=O)=C(F)C(F)=C1)=O |
| Synonyms | 3-(CHLOROSULFONYL)-4,5-DIFLUOROBENZOIC ACID,
716361-76-1,
3,4-Difluoro-3-(chlorosulfonyl)benzoic acid,
SCHEMBL3529583,
CTK7I6952,
AKOS000127130,
ZINC100448621,
NE25933,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.604g/mol |
| Monoisotopic Mass | 255.941g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number