| CAS Number | 1805520-76-6 |
| Catalog Number | AG00223S(AGN-PC-0WCYZZ) |
| Chemical Name | 2-Chloro-4-fluoro-6-methylbenzonitrile |
| IUPAC Name | 2-chloro-4-fluoro-6-methylbenzonitrile |
| InChI | InChI=1S/C8H5ClFN/c1-5-2-6(10)3-8(9)7(5)4-11/h2-3H,1H3 |
| InChI Key | FZEITJQFULLZQV-UHFFFAOYSA-N |
| MDL Number | MFCD28751892 |
| Molecular Formula | C8H5ClFN |
| Molecular Weight | 169.5834 |
| SMILES | CC1=C(C#N)C(Cl)=CC(F)=C1 |
| Synonyms | 2-Chloro-4-fluoro-6-methylbenzonitrile,
1805520-76-6,
ZINC299889207,
Benzonitrile, 2-chloro-4-fluoro-6-methyl-,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.583g/mol |
| Monoisotopic Mass | 169.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
Certificate of Analysis
Lot Number