2,4-Dinitro-1-[(4-nitrophenyl)methoxy]benzene
Basic information
- CAS
4279-47-4- Standard SMILES
O=[N+]([O-])c1ccc(COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1- InChIKey
PVMDRJAKEWWMHR-UHFFFAOYSA-N- Molecular formula
- C13H9N3O7
- Average molar mass
- 319.23 g/mol
- Monoisotopic mass
- 319.04404963
Names & identifiers
- Preferred name
- 2,4-Dinitro-1-[(4-nitrophenyl)methoxy]benzene
- IUPAC
- 2,4-dinitro-1-[(4-nitrophenyl)methoxy]benzene
Names & synonyms
2,4-dinitro-1-[(4-nitrophenyl)methoxy]benzeneDTXSID601251599AKOS0005836014279-47-4
Database identifiers
- CAS
4279-47-4- PubChem CID
- 3091019
- DTXSID
DTXSID601251599
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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