| CAS Number | 1242339-75-8 |
| Catalog Number | AG01A5F7 |
| Chemical Name | Ethyl 1H-pyrazole-4-carboxylate hydrochloride |
| IUPAC Name | ethyl 1H-pyrazole-4-carboxylate;hydrochloride |
| InChI | InChI=1S/C6H8N2O2.ClH/c1-2-10-6(9)5-3-7-8-4-5;/h3-4H,2H2,1H3,(H,7,8);1H |
| InChI Key | NILLKQABODQIFV-UHFFFAOYSA-N |
| MDL Number | MFCD16038569 |
| Molecular Formula | C6H9ClN2O2 |
| Molecular Weight | 176.6009 |
| SMILES | O=C(C1=CNN=C1)OCC.[H]Cl |
| Synonyms | Ethyl 1H-Pyrazole-4-carboxylate hydrochloride,
1242339-75-8,
NE15896,
A823803,
1H-pyrazole-4-carboxylic acid ethyl ester hydrochloride,
Ethyl 4-pyrazolecarboxylate,
37622-90-5,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.6g/mol |
| Monoisotopic Mass | 176.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number