| CAS Number | 1249747-32-7 |
| Catalog Number | AG01AII5(AGN-PC-0WO6M4) |
| Chemical Name | 5-bromo-2-(2,2,2-trifluoroethoxy)pyridin-3-amine |
| IUPAC Name | 5-bromo-2-(2,2,2-trifluoroethoxy)pyridin-3-amine |
| InChI | InChI=1S/C7H6BrF3N2O/c8-4-1-5(12)6(13-2-4)14-3-7(9,10)11/h1-2H,3,12H2 |
| InChI Key | YDDYTXBWSWSPDK-UHFFFAOYSA-N |
| MDL Number | MFCD14600577 |
| Molecular Formula | C7H6BrF3N2O |
| Molecular Weight | 271.0345 |
| SMILES | NC1=C(OCC(F)(F)F)N=CC(Br)=C1 |
| Synonyms | 5-bromo-2-(2,2,2-trifluoroethoxy)pyridin-3-amine,
1249747-32-7,
ZINC40713876,
AKOS008147216,
MCULE-9441158552,
NE15785,
EN300-77916,
Z1268152346,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.037g/mol |
| Monoisotopic Mass | 269.962g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number