| CAS Number | 1391433-36-5 |
| Catalog Number | AG01AN1C |
| Chemical Name | (1S)-1-(2-Chloro-4-fluorophenyl)ethan-1-amine hydrochloride |
| IUPAC Name | (1S)-1-(2-chloro-4-fluorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H9ClFN.ClH/c1-5(11)7-3-2-6(10)4-8(7)9;/h2-5H,11H2,1H3;1H/t5-;/m0./s1 |
| InChI Key | ADHMUZNAMAJFTD-JEDNCBNOSA-N |
| MDL Number | MFCD12757970 |
| Molecular Formula | C8H10Cl2FN |
| Molecular Weight | 210.0761 |
| SMILES | C[C@@H](C1=CC=C(F)C=C1Cl)N.[H]Cl |
| Synonyms | 1391433-36-5,
(1S)-1-(2-chloro-4-fluorophenyl)ethan-1-amine hydrochloride,
SCHEMBL19205779,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.073g/mol |
| Monoisotopic Mass | 209.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number