| CAS Number | 1805584-19-3 |
| Catalog Number | AG01E3DG(AGN-PC-0WCOXO) |
| Chemical Name | 5-bromo-2-fluoroisonicotinonitrile |
| IUPAC Name | 5-bromo-2-fluoropyridine-4-carbonitrile |
| InChI | InChI=1S/C6H2BrFN2/c7-5-3-10-6(8)1-4(5)2-9/h1,3H |
| InChI Key | XOHQEYJHTALMSK-UHFFFAOYSA-N |
| MDL Number | MFCD28735383 |
| Molecular Formula | C6H2BrFN2 |
| Molecular Weight | 200.9959 |
| SMILES | FC1=NC=C(Br)C(C#N)=C1 |
| Synonyms | 5-Bromo-2-fluoroisonicotinonitrile,
1805584-19-3,
ZINC260549129,
5-Bromo-2-fuloro-4-pyridinecarbonitrile,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.998g/mol |
| Monoisotopic Mass | 199.939g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number