| CAS Number | 125372-22-7 |
| Catalog Number | AG000NKF(AGN-PC-03HWZO) |
| Chemical Name | Benzoic acid, 2-[(methylamino)sulfonyl]- |
| IUPAC Name | 2-(methylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C8H9NO4S/c1-9-14(12,13)7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11) |
| InChI Key | CIMMMBSLPMSWGN-UHFFFAOYSA-N |
| MDL Number | MFCD18431312 |
| Molecular Formula | C8H9NO4S |
| Molecular Weight | 215.2264 |
| SMILES | CNS(=O)(=O)c1ccccc1C(=O)O |
| Synonyms | 2-(Methylsulfamoyl)benzoic acid,
Benzoic acid, 2-[(methylamino)sulfonyl]-,
125372-22-7,
2-[(methylamino)sulfonyl]benzoic acid,
ACMC-20mrhr,
SCHEMBL4433906,
CTK0C2359,
DTXSID90620296,
ZINC71773640,
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| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.223g/mol |
| Monoisotopic Mass | 215.025g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number