| CAS Number | 926231-44-9 |
| Catalog Number | AG01A7QV |
| Chemical Name | 2,6-Difluoro-3-sulfamoylbenzoic acid |
| IUPAC Name | 2,6-difluoro-3-sulfamoylbenzoic acid |
| InChI | InChI=1S/C7H5F2NO4S/c8-3-1-2-4(15(10,13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)(H2,10,13,14) |
| InChI Key | DOICEDZDWRQKRJ-UHFFFAOYSA-N |
| MDL Number | MFCD09048419 |
| Molecular Formula | C7H5F2NO4S |
| Molecular Weight | 237.1807 |
| SMILES | NS(C1=C(F)C(C(O)=O)=C(F)C=C1)(=O)=O |
| Synonyms | 2,6-difluoro-3-sulfamoylbenzoic acid,
926231-44-9,
2,6-difluoro-3-(aminosulfonyl)benzoic acid,
AC1Q557V,
SCHEMBL3525663,
CTK7I6296,
ZINC22143497,
AKOS000132361,
MCULE-2875003723,
NE29331,
EN300-59570,
Z969559956,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.177g/mol |
| Monoisotopic Mass | 236.991g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number