| CAS Number | 2142660-28-2 |
| Catalog Number | AG01EIQF |
| Chemical Name | 1-methyl-4-nitro-3-(propan-2-yloxy)-1H-pyrazole |
| IUPAC Name | 1-methyl-4-nitro-3-propan-2-yloxypyrazole |
| InChI | InChI=1S/C7H11N3O3/c1-5(2)13-7-6(10(11)12)4-9(3)8-7/h4-5H,1-3H3 |
| InChI Key | HRSGYKLMWRWVCM-UHFFFAOYSA-N |
| MDL Number | MFCD31566819 |
| Molecular Formula | C7H11N3O3 |
| Molecular Weight | 185.1805 |
| SMILES | CC(OC1C([N+]([O-])=O)=CN(C)N=1)C |
| Synonyms | 1-methyl-4-nitro-3-(propan-2-yloxy)-1H-pyrazole,
2142660-28-2,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.183g/mol |
| Monoisotopic Mass | 185.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number