| CAS Number | 72290-28-9 |
| Catalog Number | AG01AH4M |
| Chemical Name | 2,6-Dichloro-3-sulfamoylbenzoic acid |
| IUPAC Name | 2,6-dichloro-3-sulfamoylbenzoic acid |
| InChI | InChI=1S/C7H5Cl2NO4S/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 | QVWZNESUFUVSMI-UHFFFAOYSA-N |
| MDL Number | MFCD09046665 |
| Molecular Formula | C7H5Cl2NO4S |
| Molecular Weight | 270.0899 |
| SMILES | NS(C1=C(Cl)C(C(O)=O)=C(Cl)C=C1)(=O)=O |
| Synonyms | 2,6-dichloro-3-sulfamoylbenzoic acid,
72290-28-9,
FT-0715992,
EN300-73682,
Z237785042,
2,6-dichloro-3-(aminosulfonyl)benzoic acid,
3-(AMINOSULFONYL)-2,6-DICHLOROBENZOIC ACID,
SCHEMBL3528844,
CTK7I6269,
ZINC21967018,
AKOS000130260,
MCULE-4167245220,
NE59490,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.932g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.08g/mol |
| Monoisotopic Mass | 268.932g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number