| CAS Number | 29938-63-4 |
| Catalog Number | AG00BNOI(AGN-PC-0NHKNZ) |
| Chemical Name | 5-chloro-3-ethyl-1-methyl-1H-pyrazole |
| IUPAC Name | 5-chloro-3-ethyl-1-methylpyrazole |
| InChI | InChI=1S/C6H9ClN2/c1-3-5-4-6(7)9(2)8-5/h4H,3H2,1-2H3 |
| InChI Key | XZZMBFVRHGIIGW-UHFFFAOYSA-N |
| MDL Number | MFCD09749503 |
| Molecular Formula | C6H9ClN2 |
| Molecular Weight | 144.6021 |
| SMILES | CCC1=NN(C)C(Cl)=C1 |
| Synonyms | 5-chloro-3-ethyl-1-methyl-1H-pyrazole,
29938-63-4,
5-chloro-3-ethyl-1-methylpyrazole,
CTK0I4388,
DTXSID30476274,
MFCD09749503,
ZINC78675936,
AKOS006328139,
NE14411,
1H-Pyrazole, 5-chloro-3-ethyl-1-methyl-,
TX-018196,
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| Complexity | 97.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.602g/mol |
| Monoisotopic Mass | 144.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number