| CAS Number | 345930-32-7 |
| Catalog Number | AG01CB6M(AGN-PC-0WP10F) |
| Chemical Name | 2-(4-Chloro-3-sulfobenzoyl)benzoic acid |
| IUPAC Name | 2-(4-chloro-3-sulfobenzoyl)benzoic acid |
| InChI | InChI=1S/C14H9ClO6S/c15-11-6-5-8(7-12(11)22(19,20)21)13(16)9-3-1-2-4-10(9)14(17)18/h1-7H,(H,17,18)(H,19,20,21) |
| InChI Key | RJYDOLIJCOTRRK-UHFFFAOYSA-N |
| MDL Number | MFCD23702172 |
| Molecular Formula | C14H9ClO6S |
| Molecular Weight | 340.7357 |
| SMILES | OC(=O)c1ccccc1C(=O)c2ccc(Cl)c(c2)S(=O)(=O)O |
| Synonyms | Chlorthalidone Impurity A,
345930-32-7,
Chlorthalidone Chlorosulfobenzoyl Benzoic Acid Impurity; 2-(4-Chloro-3-sulfobenzoyl)benzoic acid; O-(4-Chloro-3-sulfobenzoyl)benzoic acid,
Chlorthalidone EP Impurity A,
|
| Complexity | 540 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.980837g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.7g/mol |
| Monoisotopic Mass | 339.980837g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 117Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number