| CAS Number | 1227306-93-5 |
| Catalog Number | AG01B76R |
| Chemical Name | 2-Amino-1-(3,4,5-trifluorophenyl)ethan-1-ol |
| IUPAC Name | 2-amino-1-(3,4,5-trifluorophenyl)ethanol |
| InChI | InChI=1S/C8H8F3NO/c9-5-1-4(7(13)3-12)2-6(10)8(5)11/h1-2,7,13H,3,12H2 |
| InChI Key | JJASRZWXLGMVDJ-UHFFFAOYSA-N |
| MDL Number | MFCD17284562 |
| Molecular Formula | C8H8F3NO |
| Molecular Weight | 191.1504 |
| SMILES | NCC(C1=CC(F)=C(F)C(F)=C1)O |
| Synonyms | 2-amino-1-(3,4,5-trifluorophenyl)ethan-1-ol,
1227306-93-5,
SCHEMBL2458054,
AKOS012350369,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.153g/mol |
| Monoisotopic Mass | 191.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number