Basic information
- CAS
106323-83-5- Standard SMILES
O=[N+]([O-])c1cccc(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c1- InChIKey
XEAAGZOUMUJBTD-UHFFFAOYSA-N- Molecular formula
- C12H7N3O6
- Average molar mass
- 289.2 g/mol
- Monoisotopic mass
- 289.03348495
Names & identifiers
- Preferred name
- 1,1'-Biphenyl, 3,3',4-trinitro-
- IUPAC
- 1,2-dinitro-4-(3-nitrophenyl)benzene
- English name
- 343Trinitrobiphenyl
- Molecular formula
- C12H7N3O6
- Molecular weight
- 289.20048
Names & synonyms
3,4,3'-Trinitrobiphenyl1,1'-BIPHENYL, 3,3',4-TRINITRO-106323-83-5BRN 3436561DTXSID901475743-05-00-01769 (Beilstein Handbook Reference)RefChem:212296DTXCID60700651,2-dinitro-4-(3-nitrophenyl)benzeneCHEMBL4238003,3',4-TRINITRO-1,1'-BIPHENYL343Trinitrobiphenyl
Database identifiers
- CAS
106323-83-5- PubChem CID
- 60132
- DTXSID
DTXSID90147574- ChEMBL
CHEMBL423800
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
- 426
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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