| CAS Number | 926196-72-7 |
| Catalog Number | AG00J929(AGN-PC-015PGK) |
| Chemical Name | 4-Fluoro-3-(methylsulfamoyl)benzoic acid |
| IUPAC Name | 4-fluoro-3-(methylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C8H8FNO4S/c1-10-15(13,14)7-4-5(8(11)12)2-3-6(7)9/h2-4,10H,1H3,(H,11,12) |
| InChI Key | NAUQCMNLXQNWRK-UHFFFAOYSA-N |
| MDL Number | MFCD09041537 |
| Molecular Formula | C8H8FNO4S |
| Molecular Weight | 233.2168 |
| SMILES | CNS(C1=C(F)C=CC(C(O)=O)=C1)(=O)=O |
| Synonyms | 4-fluoro-3-(methylsulfamoyl)benzoic acid,
926196-72-7,
4-fluoro-3-(N-methylsulfamoyl)benzoic acid,
4-FLUORO-3-[(METHYLAMINO)SULFONYL]BENZOIC ACID,
SCHEMBL18574475,
CTK6I5757,
BBL011904,
MFCD09041537,
STK946260,
ZINC21949511,
AKOS000123593,
MCULE-6363843995,
NE23304,
4-Fluoro-3-methylsulfamoyl-benzoic acid,
BB 0243405,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.213g/mol |
| Monoisotopic Mass | 233.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number