| CAS Number | 88398-85-0 |
| Catalog Number | AG01AMUS(AGN-PC-00MCTH) |
| Chemical Name | Methyl 5-chloro-1-methyl-1H-pyrazole-4-carboxylate |
| IUPAC Name | methyl 5-chloro-1-methylpyrazole-4-carboxylate |
| InChI | InChI=1S/C6H7ClN2O2/c1-9-5(7)4(3-8-9)6(10)11-2/h3H,1-2H3 |
| InChI Key | GXCHZTZQQJQKAN-UHFFFAOYSA-N |
| MDL Number | MFCD12405565 |
| Molecular Formula | C6H7ClN2O2 |
| Molecular Weight | 174.5850 |
| SMILES | COC(C1=C(Cl)N(C)N=C1)=O |
| Synonyms | 88398-85-0,
Methyl 5-chloro-1-methyl-1H-pyrazole-4-carboxylate,
SCHEMBL9204354,
MFCD12405565,
ZINC39619406,
2-Methyl-3-chloro-2H-pyrazole-4-carboxylic acid methyl ester,
1H-PYRAZOLE-4-CARBOXYLICACID, 5-CHLORO-1-METHYL-, METHYL ESTER,
5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.584g/mol |
| Monoisotopic Mass | 174.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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