Basic information
- CAS
63549-42-8- Standard SMILES
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=NO[N+](=O)[O-]- InChIKey
XRGPGOJFVLGCGD-UHFFFAOYSA-N- Molecular formula
- C10H7N5O6
- Average molar mass
- 293.19 g/mol
- Monoisotopic mass
- 293.03963296
Names & identifiers
- Preferred name
- 1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime)
- IUPAC
- [[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]amino] nitrate
Names & synonyms
63549-42-81H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime)XRGPGOJFVLGCGD-UHFFFAOYSA-NDB-3046913-Methyl-1-(4-nitrophenyl)-4-[[(nitro)oxy]imino]-1H-pyrazol-5(4H)-one
Database identifiers
- CAS
63549-42-8- PubChem CID
- 112693
- DTXSID
DTXSID3069932
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 525
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Pyrazole-4,5-dione, 3-methyl-1-(4-nitrophenyl)-, 4-(O-nitrooxime): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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