| CAS Number | 13551-74-1 |
| Catalog Number | AG019SUS(AGN-PC-0WORUK) |
| Chemical Name | 5-chloro-1-ethyl-3-methyl-4-nitro-1H-pyrazole |
| IUPAC Name | 5-chloro-1-ethyl-3-methyl-4-nitropyrazole |
| InChI | InChI=1S/C6H8ClN3O2/c1-3-9-6(7)5(10(11)12)4(2)8-9/h3H2,1-2H3 |
| InChI Key | JUEYFGYMSCITJF-UHFFFAOYSA-N |
| MDL Number | MFCD21667720 |
| Molecular Formula | C6H8ClN3O2 |
| Molecular Weight | 189.5996 |
| SMILES | CCN1C(Cl)=C([N+]([O-])=O)C(C)=N1 |
| Synonyms | 5-chloro-1-ethyl-3-methyl-4-nitro-1H-pyrazole,
13551-74-1,
ZINC85019151,
AKOS015363211,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.599g/mol |
| Monoisotopic Mass | 189.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number