| CAS Number | 1955493-67-0 |
| Catalog Number | AG01AUWH |
| Chemical Name | 4-fluoro-3-methanesulfonylaniline hydrochloride |
| IUPAC Name | 4-fluoro-3-methylsulfonylaniline;hydrochloride |
| InChI | InChI=1S/C7H8FNO2S.ClH/c1-12(10,11)7-4-5(9)2-3-6(7)8;/h2-4H,9H2,1H3;1H |
| InChI Key | DLGBSFJSGDXVGZ-UHFFFAOYSA-N |
| MDL Number | MFCD29041232 |
| Molecular Formula | C7H9ClFNO2S |
| Molecular Weight | 225.6683 |
| SMILES | Cl.CS(C1=C(F)C=CC(N)=C1)(=O)=O |
| Synonyms | 4-fluoro-3-methanesulfonylaniline hydrochloride,
1955493-67-0,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.662g/mol |
| Monoisotopic Mass | 225.003g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number