| CAS Number | 134589-56-3 |
| Catalog Number | AG01AMP6(AGN-PC-0WNRBI) |
| Chemical Name | 3-Chloro-4-methyl-1H-pyrazole |
| IUPAC Name | 5-chloro-4-methyl-1H-pyrazole |
| InChI | InChI=1S/C4H5ClN2/c1-3-2-6-7-4(3)5/h2H,1H3,(H,6,7) |
| InChI Key | OQMXRGXWQATKRV-UHFFFAOYSA-N |
| MDL Number | MFCD16659154 |
| Molecular Formula | C4H5ClN2 |
| Molecular Weight | 116.5489 |
| SMILES | CC1=CNN=C1Cl |
| Synonyms | 3-chloro-4-methyl-1H-pyrazole,
134589-56-3,
SCHEMBL2026155,
AKOS024047167,
ZINC117816078,
CS-0058283,
|
| Complexity | 66.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.548g/mol |
| Monoisotopic Mass | 116.014g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number