CID9664745
[2-[(E)-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-C-methylcarbonimidoyl]phenyl] 2-nitrobenzoate
Also Known As: 1H-Pyrazole-1-aceticacid,alpha,3,5-trimethyl-4-nitro-,[1-[2-[ oxy]phenyl]ethylidene]hydrazide
CAS: 606485-69-2
| Molecular Formula | C23H22N6O7 |
|---|---|
| Molecular Weight | 494.155 g/mol |
| LogP | 3.63694 |
| Topological Polar Surface Area | 171.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.155 |
| Monoisotopic Mass | 494.155 |
| Heavy Atoms | 36 |
| Complexity | 1395.3394 |
Chemical Identifiers
| CAS Number | 606485-69-2 |
|---|---|
| SMILES | CC1=C(C(=NN1C(C)C(=O)N/N=C(\C)/C2=CC=CC=C2OC(=O)C3=CC=CC=C3[N+](=O)[O-])C)[N+](=O)[O-] |
Product Overview
CID9664745 (CAS 606485-69-2), with molecular formula C23H22N6O7 and molecular weight 494.155 g/mol. IUPAC: [2-[(E)-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-C-methylcarbonimidoyl]phenyl] 2-nitrobenzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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