| CAS Number | 1423025-14-2 |
| Catalog Number | AG01A0XA |
| Chemical Name | 3-chloro-2-fluoro-5-sulfamoylbenzoic acid |
| IUPAC Name | 3-chloro-2-fluoro-5-sulfamoylbenzoic acid |
| InChI | InChI=1S/C7H5ClFNO4S/c8-5-2-3(15(10,13)14)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)(H2,10,13,14) |
| InChI Key | ZRANYBQAFZQAAW-UHFFFAOYSA-N |
| MDL Number | MFCD22565856 |
| Molecular Formula | C7H5ClFNO4S |
| Molecular Weight | 253.6353 |
| SMILES | NS(C1=CC(C(O)=O)=C(F)C(Cl)=C1)(=O)=O |
| Synonyms | 3-chloro-2-fluoro-5-sulfamoylbenzoic acid,
1423025-14-2,
ZINC82163102,
AKOS019548018,
MCULE-5730080343,
NE23142,
Z1692568216,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.961185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.64g/mol |
| Monoisotopic Mass | 252.961185g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number