| CAS Number | 78494-45-8 |
| Catalog Number | AG01ELHJ |
| Chemical Name | 2,4-dichloro-6-ethylpyrimidine-5-carbonitrile |
| IUPAC Name | 2,4-dichloro-6-ethylpyrimidine-5-carbonitrile |
| InChI | InChI=1S/C7H5Cl2N3/c1-2-5-4(3-10)6(8)12-7(9)11-5/h2H2,1H3 |
| InChI Key | IBEFWQNGHWSPES-UHFFFAOYSA-N |
| MDL Number | MFCD31718384 |
| Molecular Formula | C7H5Cl2N3 |
| Molecular Weight | 202.0407 |
| SMILES | CCC1=C(C#N)C(Cl)=NC(Cl)=N1 |
| Synonyms | 2,4-dichloro-6-ethylpyrimidine-5-carbonitrile,
78494-45-8,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.038g/mol |
| Monoisotopic Mass | 200.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number