| CAS Number | 1337606-50-4 |
| Catalog Number | AG00HSZJ(AGN-PC-0WQY2A) |
| Chemical Name | 2-Bromo-4,6-difluorobenzonitrile |
| IUPAC Name | 2-bromo-4,6-difluorobenzonitrile |
| InChI | InChI=1S/C7H2BrF2N/c8-6-1-4(9)2-7(10)5(6)3-11/h1-2H |
| InChI Key | FXAHYHGFMOWUAL-UHFFFAOYSA-N |
| MDL Number | MFCD28401849 |
| Molecular Formula | C7H2BrF2N |
| Molecular Weight | 217.9983 |
| SMILES | FC1=CC(Br)=C(C#N)C(F)=C1 |
| Synonyms | 2-Bromo-4,6-difluorobenzonitrile,
1337606-50-4,
SCHEMBL16680760,
FXAHYHGFMOWUAL-UHFFFAOYSA-N,
MFCD28401849,
AKOS027338789,
ZINC258830386,
FCH4816591,
AS-35863,
BBV-60203151,
PC502012,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.001g/mol |
| Monoisotopic Mass | 216.934g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number