Basic information
- CAS
106323-85-7- Standard SMILES
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c([N+](=O)[O-])c1- InChIKey
ZJMAZGPQQSTXRS-UHFFFAOYSA-N- Molecular formula
- C12H6N4O8
- Average molar mass
- 334.2 g/mol
- Monoisotopic mass
- 334.01856316
Names & identifiers
- Preferred name
- 1,1'-Biphenyl, 2,3',4,4'-tetranitro-
- IUPAC
- 4-(2,4-dinitrophenyl)-1,2-dinitrobenzene
Names & synonyms
2,4,3',4'-Tetranitrobiphenyl106323-85-71,1'-BIPHENYL, 2,3',4,4'-TETRANITRO-2,3',4,4'-TETRANITRO-1,1'-BIPHENYLCCRIS 4227J38CJ4MY4HCHEMBL349661DTXSID10147576
Database identifiers
- CAS
106323-85-7- PubChem CID
- 60134
- DTXSID
DTXSID10147576- ChEMBL
CHEMBL349661- UNII
- J38CJ4MY4H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…