Basic information
- CAS
2364-42-3- Standard SMILES
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-]- InChIKey
UNKCJDGKXMGEEF-UHFFFAOYSA-N- Molecular formula
- C12H6N4O8
- Average molar mass
- 334.2 g/mol
- Monoisotopic mass
- 334.01856316
Names & identifiers
- Preferred name
- 1,1'-Biphenyl, 3,3',4,4'-tetranitro-
- IUPAC
- 4-(3,4-dinitrophenyl)-1,2-dinitrobenzene
Names & synonyms
1,1'-BIPHENYL, 3,3',4,4'-TETRANITRO-2364-42-33,4,3',4'-TetranitrobiphenylBRN 2547291DTXSID601783103-05-00-01772 (Beilstein Handbook Reference)RefChem:212294DTXCID901008013,3',4,4'-TETRANITRO-1,1'-BIPHENYLCHEMBL353670SCHEMBL3976788
Database identifiers
- CAS
2364-42-3- PubChem CID
- 16901
- DTXSID
DTXSID60178310- ChEMBL
CHEMBL353670- Nikkaji
- J134.776D
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
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…