| CAS Number | 1803605-65-3 |
| Catalog Number | AG01B9ZD |
| Chemical Name | 2-amino-N-{2-[(difluoromethyl)sulfanyl]phenyl}acetamide hydrochloride |
| IUPAC Name | 2-amino-N-[2-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride |
| InChI | InChI=1S/C9H10F2N2OS.ClH/c10-9(11)15-7-4-2-1-3-6(7)13-8(14)5-12;/h1-4,9H,5,12H2,(H,13,14);1H |
| InChI Key | WCMKAXMTSABFMX-UHFFFAOYSA-N |
| MDL Number | MFCD28397450 |
| Molecular Formula | C9H11ClF2N2OS |
| Molecular Weight | 268.7112 |
| SMILES | Cl.NCC(NC1=C(SC(F)F)C=CC=C1)=O |
| Synonyms | 2-amino-N-{2-[(difluoromethyl)sulfanyl]phenyl}acetamide hydrochloride,
1803605-65-3,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.707g/mol |
| Monoisotopic Mass | 268.025g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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