| CAS Number | 1373243-81-2 |
| Catalog Number | AG01C1A0 |
| Chemical Name | 5-(BROMOMETHYL)-2-(2,2,2-TRIFLUOROETHOXY)PYRIDINE |
| IUPAC Name | 5-(bromomethyl)-2-(2,2,2-trifluoroethoxy)pyridine |
| InChI | InChI=1S/C8H7BrF3NO/c9-3-6-1-2-7(13-4-6)14-5-8(10,11)12/h1-2,4H,3,5H2 |
| InChI Key | BNPIMUVHBBOWQL-UHFFFAOYSA-N |
| MDL Number | MFCD29047252 |
| Molecular Formula | C8H7BrF3NO |
| Molecular Weight | 270.0465 |
| SMILES | FC(COC1=NC=C(CBr)C=C1)(F)F |
| Synonyms | 5-(bromomethyl)-2-(2,2,2-trifluoroethoxy)pyridine,
1373243-81-2,
SCHEMBL12470245,
ZINC145791264,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.049g/mol |
| Monoisotopic Mass | 268.966g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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