Basic information
- CAS
67417-17-8- Standard SMILES
O=c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
NQTYRTCISNIAEE-UHFFFAOYSA-N- Molecular formula
- C16H8N6O10
- Average molar mass
- 444.27 g/mol
- Monoisotopic mass
- 444.03019047
Names & identifiers
- Preferred name
- 6-(2,4-Bis(hydroxy(oxido)amino)phenoxy)-2-(2,4-bis(hydroxy(oxido)amino)phenyl)-3(2H)-pyridazinone
- IUPAC
- 6-(2,4-dinitrophenoxy)-2-(2,4-dinitrophenyl)pyridazin-3-one
- English name
- 6-(2,4-Bis(hydroxy(oxido)amino)phenoxy)-2-(2,4-bis(hydroxy(oxido)amino )phenyl)-3(2H)-pyridazinone
- Molecular formula
- C16H8N6O10
- Molecular weight
- 444.27
Names & synonyms
67417-17-8NSC214356-(2,4-Bis(hydroxy(oxido)amino)phenoxy)-2-(2,4-bis(hydroxy(oxido)amino)phenyl)-3(2H)-pyridazinoneY8EED5JCV66-(2,4-dinitrophenoxy)-2-(2,4-dinitrophenyl)pyridazin-3-oneNSC-214356-(2,4-dinitrophenoxy)-2-(2,4-dinitrophenyl)pyridazin-3(2h)-oneNSC 21435UNII-Y8EED5JCV6DTXSID402177716-(2,4-Dinitrophenoxy)-2-(2,4-dinitrophenyl)-3(2H)-pyridazinone3(2H)-Pyridazinone, 6-(2,4-dinitrophenoxy)-2-(2,4-dinitrophenyl)-
Show more names
6-(2,4-Bis(hydroxy(oxido)amino)phenoxy)-2-(2,4-bis(hydroxy(oxido)amino )phenyl)-3(2H)-pyridazinone
Database identifiers
- CAS
67417-17-8- PubChem CID
- 228481
- DTXSID
DTXSID40217771- UNII
- Y8EED5JCV6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 868
Physicochemical properties
- Boiling point
- 661.3 · 661.3±65.0 °C(Predicted)
- Density
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- pka
- -3.9 · -3.90±0.70(Predicted)
- FDA UNII
- 8 EED5JCV6 · Y8EED5JCV6
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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