| CAS Number | 1017464-69-5 |
| Catalog Number | AG01BUX2 |
| Chemical Name | 5-[(carboxymethyl)sulfamoyl]-2-chlorobenzoic acid |
| IUPAC Name | 5-(carboxymethylsulfamoyl)-2-chlorobenzoic acid |
| InChI | InChI=1S/C9H8ClNO6S/c10-7-2-1-5(3-6(7)9(14)15)18(16,17)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)(H,14,15) |
| InChI Key | WLABESAFBRLIJN-UHFFFAOYSA-N |
| MDL Number | MFCD09901850 |
| Molecular Formula | C9H8ClNO6S |
| Molecular Weight | 293.6809 |
| SMILES | OC(CNS(C1=CC(C(O)=O)=C(Cl)C=C1)(=O)=O)=O |
| Synonyms | 5-[(Carboxymethyl)sulfamoyl]-2-chlorobenzoic acid,
1017464-69-5,
ZINC11804496,
|
| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.674g/mol |
| Monoisotopic Mass | 292.976g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number