| CAS Number | 90537-15-8 |
| Catalog Number | AG01EYZI(AGN-PC-3H48IN) |
| Chemical Name | 4-Chloro-2,5-dimethylbenzonitrile |
| IUPAC Name | 4-chloro-2,5-dimethylbenzonitrile |
| InChI | InChI=1S/C9H8ClN/c1-6-4-9(10)7(2)3-8(6)5-11/h3-4H,1-2H3 |
| InChI Key | OYYVQLONMLSVAG-UHFFFAOYSA-N |
| MDL Number | MFCD19381656 |
| Molecular Formula | C9H8ClN |
| Molecular Weight | 165.6195 |
| SMILES | C1=C(C(Cl)=CC(C)=C1C#N)C |
| Synonyms | 4-Chloro-2,5-dimethylbenzonitrile,
90537-15-8,
SCHEMBL13868310,
DTXSID30693161,
ZINC67794658,
AKOS022942597,
FS-6376,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.62g/mol |
| Monoisotopic Mass | 165.035g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number