| CAS Number | 1227499-22-0 |
| Catalog Number | AG01A388(AGN-PC-0WNO3W) |
| Chemical Name | 6-Bromo-3-methoxy-2-(trifluoromethyl)pyridine |
| IUPAC Name | 6-bromo-3-methoxy-2-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C7H5BrF3NO/c1-13-4-2-3-5(8)12-6(4)7(9,10)11/h2-3H,1H3 |
| InChI Key | ZAMHUDBUJDKQEB-UHFFFAOYSA-N |
| MDL Number | MFCD16610126 |
| Molecular Formula | C7H5BrF3NO |
| Molecular Weight | 256.0199 |
| SMILES | COC1=C(C(F)(F)F)N=C(Br)C=C1 |
| Synonyms | 6-bromo-3-methoxy-2-(trifluoromethyl)pyridine,
1227499-22-0,
SCHEMBL18952767,
ZINC88611773,
AKOS026729849,
NE49325,
|
| 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 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number