3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-, ion(1-), sodium (1:1)
Basic information
- CAS
63665-95-2- Standard SMILES
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c([O-])c1[N+](=O)[O-].[Na+]- InChIKey
QRYHBJHFHKSUKH-UHFFFAOYSA-M- Molecular formula
- C10H7N4NaO5
- Average molar mass
- 286.18 g/mol
- Monoisotopic mass
- 286.03141362
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-, ion(1-), sodium (1:1)
- IUPAC
- sodium 3-methyl-4-nitro-1-(4-nitrophenyl)pyrazol-5-olate
Names & synonyms
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-, ion(1-), sodium63665-95-23H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-, ion(1-), sodium (1:1)3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-, monosodium saltRefChem:505783DTXSID10979894Sodium 3-methyl-4-nitro-1-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-ide
Database identifiers
- CAS
63665-95-2- PubChem CID
- 113405
- DTXSID
DTXSID10979894
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-nitro-2-(4-nitrophenyl)-, ion(1-), sodium (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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