| CAS Number | 1349716-12-6 |
| Catalog Number | AG01B500 |
| Chemical Name | 4-Bromo-3-fluoro-2-methylbenzonitrile |
| IUPAC Name | 4-bromo-3-fluoro-2-methylbenzonitrile |
| InChI | InChI=1S/C8H5BrFN/c1-5-6(4-11)2-3-7(9)8(5)10/h2-3H,1H3 |
| InChI Key | ATWKXXGBCZWOCX-UHFFFAOYSA-N |
| MDL Number | MFCD18917159 |
| Molecular Formula | C8H5BrFN |
| Molecular Weight | 214.0344 |
| SMILES | N#CC1=CC=C(Br)C(F)=C1C |
| Synonyms | 4-Bromo-3-fluoro-2-methylbenzonitrile,
1349716-12-6,
SCHEMBL7637880,
ZINC67802612,
AKOS027264983,
FCH1348196,
FS-6619,
EN300-298686,
Z2509351226,
|
| 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