| CAS Number | 1228561-56-5 |
| Catalog Number | AG009ZAD(AGN-PC-0WOLOU) |
| Chemical Name | (S)-1-(3-chloro-2-fluorophenyl)ethan-1-amine |
| IUPAC Name | (1S)-1-(3-chloro-2-fluorophenyl)ethanamine |
| InChI | InChI=1S/C8H9ClFN/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5H,11H2,1H3/t5-/m0/s1 |
| InChI Key | SCEUCESYXQXKOY-YFKPBYRVSA-N |
| MDL Number | MFCD07772566 |
| Molecular Formula | C8H9ClFN |
| Molecular Weight | 173.6152 |
| SMILES | C[C@@H](C1=CC=CC(Cl)=C1F)N |
| Synonyms | (1S)-1-(3-chloro-2-fluorophenyl)ethan-1-amine,
1228561-56-5,
(S)-1-(3-Chloro-2-fluorophenyl)ethan-1-amine,
SCHEMBL12480883,
MFCD07772566,
ZINC51951649,
AKOS017405028,
NE45726,
AJ-111913,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.615g/mol |
| Monoisotopic Mass | 173.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number