| CAS Number | 1695413-38-7 |
| Catalog Number | AG01FD89(AGN-PC-3H49OE) |
| Chemical Name | 5-bromo-4-fluoro-2-methylbenzonitrile |
| IUPAC Name | 5-bromo-4-fluoro-2-methylbenzonitrile |
| InChI | InChI=1S/C8H5BrFN/c1-5-2-8(10)7(9)3-6(5)4-11/h2-3H,1H3 |
| InChI Key | YLVXOFLZONNIQK-UHFFFAOYSA-N |
| MDL Number | MFCD28396347 |
| Molecular Formula | C8H5BrFN |
| Molecular Weight | 214.0344 |
| SMILES | BrC=1C(=CC(=C(C#N)C1)C)F |
| Synonyms | 5-Bromo-4-fluoro-2-methylbenzonitrile,
1695413-38-7,
AKOS027445165,
ZINC258167767,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.037g/mol |
| Monoisotopic Mass | 212.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number