Basic information
- CAS
60191-43-7- Standard SMILES
O=[N+]([O-])c1cccc(Cc2ccc(Cc3cccc([N+](=O)[O-])c3)cc2)c1- InChIKey
LBDZBXXXDRBZDT-UHFFFAOYSA-N- Molecular formula
- C20H16N2O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.111007
Names & identifiers
- Preferred name
- 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene)
- IUPAC
- 1-nitro-3-[[4-[(3-nitrophenyl)methyl]phenyl]methyl]benzene
Names & synonyms
60191-43-7NSC 897841,1'-(benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene)NSC89784DTXSID00293470NSC-897841,1'-[1,4-Phenylenebis(methylene)]bis(3-nitrobenzene)
Database identifiers
- CAS
60191-43-7- PubChem CID
- 259642
- DTXSID
DTXSID00293470
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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