| CAS Number | 1270344-10-9 |
| Catalog Number | AG01A4JA |
| Chemical Name | 2-Methoxy-1-(3,4,5-trifluorophenyl)ethan-1-amine |
| IUPAC Name | 2-methoxy-1-(3,4,5-trifluorophenyl)ethanamine |
| InChI | InChI=1S/C9H10F3NO/c1-14-4-8(13)5-2-6(10)9(12)7(11)3-5/h2-3,8H,4,13H2,1H3 |
| InChI Key | XWXXMFALIKKIKK-UHFFFAOYSA-N |
| MDL Number | MFCD18657905 |
| Molecular Formula | C9H10F3NO |
| Molecular Weight | 205.1770 |
| SMILES | COCC(C1=CC(F)=C(F)C(F)=C1)N |
| Synonyms | 2-methoxy-1-(3,4,5-trifluorophenyl)ethan-1-amine,
1270344-10-9,
AKOS017550592,
NE54986,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.18g/mol |
| Monoisotopic Mass | 205.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number