| CAS Number | 1339128-47-0 |
| Catalog Number | AG01BTY3 |
| Chemical Name | 5-chloro-3-ethyl-1-methyl-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 5-chloro-3-ethyl-1-methylpyrazole-4-carbonitrile |
| InChI | InChI=1S/C7H8ClN3/c1-3-6-5(4-9)7(8)11(2)10-6/h3H2,1-2H3 |
| InChI Key | SCWKPOZSITYGIU-UHFFFAOYSA-N |
| MDL Number | MFCD18886879 |
| Molecular Formula | C7H8ClN3 |
| Molecular Weight | 169.6115 |
| SMILES | CCC1C(C#N)=C(Cl)N(C)N=1 |
| Synonyms | 5-chloro-3-ethyl-1-methyl-1H-pyrazole-4-carbonitrile,
1339128-47-0,
ZINC82608275,
AKOS013101293,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.612g/mol |
| Monoisotopic Mass | 169.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number