Basic information
- CAS
106323-84-6- Standard SMILES
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1- InChIKey
ACCXYWNIHRFTOP-UHFFFAOYSA-N- Molecular formula
- C12H7N3O6
- Average molar mass
- 289.2 g/mol
- Monoisotopic mass
- 289.03348495
Names & identifiers
- Preferred name
- 3,4,4'-Trinitrobiphenyl
- IUPAC
- 1,2-dinitro-4-(4-nitrophenyl)benzene
Names & synonyms
106323-84-61,1'-BIPHENYL, 3,4,4'-TRINITRO-3,4,4'-TrinitrobiphenylBRN 3436928CHEMBL167576DTXSID501475753,4,4'-TRINITRO-1,1'-BIPHENYL
Database identifiers
- CAS
106323-84-6- PubChem CID
- 60133
- DTXSID
DTXSID50147575- ChEMBL
CHEMBL167576
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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