| CAS Number | 1372096-38-2 |
| Catalog Number | AG009EQF(AGN-PC-0WR0LX) |
| Chemical Name | 5-BroMo-4-(chloroMethyl)-2-(trifluoroMethyl)pyridine |
| IUPAC Name | 5-bromo-4-(chloromethyl)-2-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C7H4BrClF3N/c8-5-3-13-6(7(10,11)12)1-4(5)2-9/h1,3H,2H2 |
| InChI Key | TXULUSKMHNQRTB-UHFFFAOYSA-N |
| MDL Number | MFCD21647859 |
| Molecular Formula | C7H4BrClF3N |
| Molecular Weight | 274.4656 |
| SMILES | ClCc1cc(ncc1Br)C(F)(F)F |
| Synonyms | 5-Bromo-4-(chloromethyl)-2-(trifluoromethyl)pyridine,
1372096-38-2,
ZINC95616339,
C-0091,
5-Bromo-4-chloromethyl-2-(trifluoromethyl)pyridine,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.917g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.465g/mol |
| Monoisotopic Mass | 272.917g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number