| CAS Number | 181997-36-4 |
| Catalog Number | AG00238P(AGN-PC-0H0HFT) |
| Chemical Name | 1H-Pyrazole-4-carboxylic acid, methyl ester, hydrochloride (1:1) |
| IUPAC Name | methyl 1H-pyrazole-4-carboxylate;hydrochloride |
| InChI | InChI=1S/C5H6N2O2.ClH/c1-9-5(8)4-2-6-7-3-4;/h2-3H,1H3,(H,6,7);1H |
| InChI Key | AOJLCZLZCNUMAS-UHFFFAOYSA-N |
| MDL Number | MFCD00297363 |
| Molecular Formula | C5H7ClN2O2 |
| Molecular Weight | 162.5743 |
| SMILES | O=C(C1=CNN=C1)OC.[H]Cl |
| Synonyms | Methyl 1H-pyrazole-4-carboxylate hydrochloride,
181997-36-4,
CTK8H3385,
9533AA,
AKOS015995079,
AB44633,
RP22553,
FT-0684028,
ST24047565,
J-521768,
Z2235790709,
1H-Pyrazole-4-carboxylic acid, methyl ester, hydrochloride (1:1),
C5H7ClN2O2,
T0056,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.573g/mol |
| Monoisotopic Mass | 162.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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