| CAS Number | 944805-61-2 |
| Catalog Number | AG01AM1I |
| Chemical Name | 5-Bromo-3-methoxy-2-(trifluoromethyl)pyridine |
| IUPAC Name | 5-bromo-3-methoxy-2-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C7H5BrF3NO/c1-13-5-2-4(8)3-12-6(5)7(9,10)11/h2-3H,1H3 |
| InChI Key | PNGHLWFANAWPAO-UHFFFAOYSA-N |
| MDL Number | MFCD18254487 |
| Molecular Formula | C7H5BrF3NO |
| Molecular Weight | 256.0199 |
| SMILES | COc1cc(Br)cnc1C(F)(F)F |
| Synonyms | 5-bromo-3-methoxy-2-(trifluoromethyl)pyridine,
944805-61-2,
Pyridine, 5-bromo-3-methoxy-2-(trifluoromethyl)-,
SCHEMBL4291682,
PNGHLWFANAWPAO-UHFFFAOYSA-N,
ZINC147455018,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.022g/mol |
| Monoisotopic Mass | 254.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number