| CAS Number | 106737-87-5 |
| Catalog Number | AG01BDXP |
| Chemical Name | (3-chloro-4-methanesulfonylphenyl)methanamine hydrochloride |
| IUPAC Name | (3-chloro-4-methylsulfonylphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C8H10ClNO2S.ClH/c1-13(11,12)8-3-2-6(5-10)4-7(8)9;/h2-4H,5,10H2,1H3;1H |
| InChI Key | YERJWLKFEXGBAX-UHFFFAOYSA-N |
| MDL Number | MFCD28063724 |
| Molecular Formula | C8H11Cl2NO2S |
| Molecular Weight | 256.1494 |
| SMILES | Cl.CS(C1=C(Cl)C=C(CN)C=C1)(=O)=O |
| Synonyms | (3-chloro-4-methanesulfonylphenyl)methanamine hydrochloride,
106737-87-5,
Z2065616428,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.141g/mol |
| Monoisotopic Mass | 254.989g/mol |
| Rotatable Bond Count | 2 |
| 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