| CAS Number | 1427380-48-0 |
| Catalog Number | AG01A49G |
| Chemical Name | 2-Amino-2-(4-chloro-3-fluorophenyl)ethan-1-ol hydrochloride |
| IUPAC Name | 2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride |
| InChI | InChI=1S/C8H9ClFNO.ClH/c9-6-2-1-5(3-7(6)10)8(11)4-12;/h1-3,8,12H,4,11H2;1H |
| InChI Key | MLKIWOGVBABSOA-UHFFFAOYSA-N |
| MDL Number | MFCD23144294 |
| Molecular Formula | C8H10Cl2FNO |
| Molecular Weight | 226.0755 |
| SMILES | OCC(N)C1=CC=C(Cl)C(F)=C1.[H]Cl |
| Synonyms | 2-amino-2-(4-chloro-3-fluorophenyl)ethan-1-ol hydrochloride,
1427380-48-0,
SCHEMBL15512380,
NE41571,
(S)-2-AMINO-2-(4-CHLORO-3-FLUOROPHENYL)ETHAN-1-OL HCL,
1574401-74-3,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.072g/mol |
| Monoisotopic Mass | 225.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number