| CAS Number | 1384079-66-6 |
| Catalog Number | AG01AUTC |
| Chemical Name | 2-amino-1-[4-(trifluoromethoxy)phenyl]ethan-1-ol hydrochloride |
| IUPAC Name | 2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride |
| InChI | InChI=1S/C9H10F3NO2.ClH/c10-9(11,12)15-7-3-1-6(2-4-7)8(14)5-13;/h1-4,8,14H,5,13H2;1H |
| InChI Key | YXXPEUQKZISRQV-UHFFFAOYSA-N |
| MDL Number | MFCD09831960 |
| Molecular Formula | C9H11ClF3NO2 |
| Molecular Weight | 257.6373 |
| SMILES | Cl.NCC(C1=CC=C(OC(F)(F)F)C=C1)O |
| Synonyms | 1384079-66-6,
2-amino-1-[4-(trifluoromethoxy)phenyl]ethan-1-ol hydrochloride,
AKOS030757466,
225A127,
Z2235790692,
2-Amino-1-(4-trifluoromethoxy-phenyl)-ethanol hydrochloride,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.637g/mol |
| Monoisotopic Mass | 257.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number