| CAS Number | 1017784-04-1 |
| Catalog Number | AG00H9MN(AGN-PC-0WBJ4C) |
| Chemical Name | Methyl 4-chloro-1-methylpyrazole-3-carboxylate |
| IUPAC Name | methyl 4-chloro-1-methylpyrazole-3-carboxylate |
| InChI | InChI=1S/C6H7ClN2O2/c1-9-3-4(7)5(8-9)6(10)11-2/h3H,1-2H3 |
| InChI Key | HDQHPWAHZHGYHX-UHFFFAOYSA-N |
| MDL Number | MFCD06203977 |
| Molecular Formula | C6H7ClN2O2 |
| Molecular Weight | 174.5850 |
| SMILES | COC(=O)c1nn(cc1Cl)C |
| Synonyms | Methyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate,
1017784-04-1,
SCHEMBL985062,
ALBB-031400,
MFCD06203977,
ZINC44199823,
AKOS006295503,
methyl 4-chloro-1-methylpyrazole-3-carboxylate,
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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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