| CAS Number | 1016863-36-7 |
| Catalog Number | AG019QY8 |
| Chemical Name | 3-Chloro-2-methanesulfonylaniline |
| IUPAC Name | 3-chloro-2-methylsulfonylaniline |
| InChI | InChI=1S/C7H8ClNO2S/c1-12(10,11)7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3 |
| InChI Key | SNZQGOFQINOHGO-UHFFFAOYSA-N |
| MDL Number | MFCD09909512 |
| Molecular Formula | C7H8ClNO2S |
| Molecular Weight | 205.6619 |
| SMILES | CS(C1=C(Cl)C=CC=C1N)(=O)=O |
| Synonyms | 3-chloro-2-methanesulfonylaniline,
1016863-36-7,
ZINC19474741,
AKOS000182181,
NE33141,
EN300-88618,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.656g/mol |
| Monoisotopic Mass | 204.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number