| CAS Number | 1423031-64-4 |
| Catalog Number | AG01A2UX |
| Chemical Name | 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}propan-1-amine hydrochloride |
| IUPAC Name | 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxypropan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H10ClF3N2O.ClH/c10-7-4-6(9(11,12)13)5-15-8(7)16-3-1-2-14;/h4-5H,1-3,14H2;1H |
| InChI Key | BAYITLHZVIRZIH-UHFFFAOYSA-N |
| MDL Number | MFCD22628377 |
| Molecular Formula | C9H11Cl2F3N2O |
| Molecular Weight | 291.0976 |
| SMILES | Cl.NCCCOC1=C(Cl)C=C(C(F)(F)F)C=N1 |
| Synonyms | 2-(3-aminopropoxy)-3-chloro-5-(trifluoromethyl)pyridine hydrochloride,
1423031-64-4,
NE34257,
3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}propan-1-amine hydrochloride,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.020053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.09g/mol |
| Monoisotopic Mass | 290.020053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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