Basic information
- CAS
36712-35-3- Standard SMILES
O=[N+]([O-])c1ccc(-c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
JTJBOKJQQFQURC-UHFFFAOYSA-N- Molecular formula
- C12H7N3O6
- Average molar mass
- 289.2 g/mol
- Monoisotopic mass
- 289.03348495
Names & identifiers
- Preferred name
- 1,1'-Biphenyl, 2,2',4-trinitro-
- IUPAC
- 2,4-dinitro-1-(2-nitrophenyl)benzene
Names & synonyms
1,1'-BIPHENYL, 2,2',4-TRINITRO-2,4,2'-Trinitrobiphenyl36712-35-3CCRIS 4115Biphenyl, 2,2',4-trinitro-NSC 105611BRN 2543725NSC105611Biphenyl,2',4-trinitro-1, 2,2',4-trinitro-CHEMBL167728SCHEMBL10748570
Show more names
DTXSID90190181NSC-1056112,2',4-TRINITRO-1,1'-BIPHENYL
Database identifiers
- CAS
36712-35-3- PubChem CID
- 37516
- DTXSID
DTXSID90190181- ChEMBL
CHEMBL167728
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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