| CAS Number | 869377-79-7 |
| Catalog Number | AG01E5L1(AGN-PC-0V9D4J) |
| Chemical Name | (S)-2,2-Difluoro-1-phenylethanamine hydrochloride |
| IUPAC Name | (1S)-2,2-difluoro-1-phenylethanamine;hydrochloride |
| InChI | InChI=1S/C8H9F2N.ClH/c9-8(10)7(11)6-4-2-1-3-5-6;/h1-5,7-8H,11H2;1H/t7-;/m0./s1 |
| InChI Key | PRPURMZIWSKOBV-FJXQXJEOSA-N |
| MDL Number | MFCD26578515 |
| Molecular Formula | C8H10ClF2N |
| Molecular Weight | 193.6215 |
| SMILES | FC(F)[C@H](C1=CC=CC=C1)N.Cl |
| Synonyms | (alphaS)-alpha-(Difluoromethyl)-benzenemethanamineHydrochloride,
869377-79-7,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.622g/mol |
| Monoisotopic Mass | 193.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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