| CAS Number | 1184452-50-3 |
| Catalog Number | AG01A8GA |
| Chemical Name | 4-Fluoro-3-methanesulfonamidobenzoic acid |
| IUPAC Name | 4-fluoro-3-(methanesulfonamido)benzoic acid |
| InChI | InChI=1S/C8H8FNO4S/c1-15(13,14)10-7-4-5(8(11)12)2-3-6(7)9/h2-4,10H,1H3,(H,11,12) |
| InChI Key | CPRDLCOJNODCAS-UHFFFAOYSA-N |
| MDL Number | MFCD12149103 |
| Molecular Formula | C8H8FNO4S |
| Molecular Weight | 233.2168 |
| SMILES | CS(NC1=C(F)C=CC(C(O)=O)=C1)(=O)=O |
| Synonyms | 4-fluoro-3-methanesulfonamidobenzoic acid,
1184452-50-3,
AC1Q4GP8,
ZINC37396283,
AKOS008103238,
MCULE-8657376733,
NE21862,
EN300-61540,
Z286234352,
|
| 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 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number