| CAS Number | 716360-56-4 |
| Catalog Number | AG01AIGE |
| Chemical Name | 2,6-Dichloro-3-(methylsulfamoyl)benzoic acid |
| IUPAC Name | 2,6-dichloro-3-(methylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C8H7Cl2NO4S/c1-11-16(14,15)5-3-2-4(9)6(7(5)10)8(12)13/h2-3,11H,1H3,(H,12,13) |
| InChI Key | XXVVPZSSECZKLO-UHFFFAOYSA-N |
| MDL Number | MFCD11117976 |
| Molecular Formula | C8H7Cl2NO4S |
| Molecular Weight | 284.1165 |
| SMILES | CNS(C1=C(Cl)C(C(O)=O)=C(Cl)C=C1)(=O)=O |
| Synonyms | 2,6-dichloro-3-(methylsulfamoyl)benzoic acid,
716360-56-4,
SCHEMBL3527829,
XXVVPZSSECZKLO-UHFFFAOYSA-N,
ZINC20551816,
AKOS005363085,
MCULE-3710146286,
NE40738,
EN300-77726,
2,6dichloro-3-[(methylamino)sulfonyl]benzoic acid,
2,6-dichloro-3-[(methylamino)sulfonyl]benzoic acid,
Z237754022,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.107g/mol |
| Monoisotopic Mass | 282.947g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number