| CAS Number | 1856075-60-9 |
| Catalog Number | AG01EILM(AGN-PC-0WBJ4D) |
| Chemical Name | Methyl 4-chloro-1-ethyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | methyl 4-chloro-1-ethylpyrazole-3-carboxylate |
| InChI | InChI=1S/C7H9ClN2O2/c1-3-10-4-5(8)6(9-10)7(11)12-2/h4H,3H2,1-2H3 |
| InChI Key | KDWFBBWZVYBHCF-UHFFFAOYSA-N |
| MDL Number | MFCD29910913 |
| Molecular Formula | C7H9ClN2O2 |
| Molecular Weight | 188.6116 |
| SMILES | CCN1N=C(C(OC)=O)C(Cl)=C1 |
| Synonyms | methyl 4-chloro-1-ethyl-1H-pyrazole-3-carboxylate,
1856075-60-9,
AKOS030252751,
ZINC408716226,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.611g/mol |
| Monoisotopic Mass | 188.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number