| CAS Number | 400877-54-5 |
| Catalog Number | AG01ANIE(AGN-PC-0WB8O0) |
| Chemical Name | methyl 4-chloro-1-methyl-1H-pyrazole-5-carboxylate |
| IUPAC Name | methyl 4-chloro-2-methylpyrazole-3-carboxylate |
| InChI | InChI=1S/C6H7ClN2O2/c1-9-5(6(10)11-2)4(7)3-8-9/h3H,1-2H3 |
| InChI Key | VIXUYQKOFMXATD-UHFFFAOYSA-N |
| MDL Number | MFCD02253778 |
| Molecular Formula | C6H7ClN2O2 |
| Molecular Weight | 174.5850 |
| SMILES | COC(C1N(C)N=CC=1Cl)=O |
| Synonyms | 400877-54-5,
methyl 4-chloro-1-methyl-1H-pyrazole-5-carboxylate,
4-Chloro-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester,
methyl 4-chloro-1-methylpyrazole-5-carboxylate,
AC1N323N,
CTK6I8641,
KS-00003KIY,
ZINC392143,
MFCD02253778,
SBB019832,
STK301790,
AKOS000304553,
FS-1838,
MCULE-5209369303,
ST45061648,
methyl 4-chloro-2-methylpyrazole-3-carboxylate,
4-chloro-2-methyl-2 h-pyrazole-3-carboxylic acid methyl ester,
4-Chloro-2-methyl-2H -pyrazole-3-carboxylic acid methyl ester,
4-chloro-2-methyl-2h-pyrazole-3-carboxylic acidmethyl ester,
ZINC00392143,
CID4105655,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number