Basic information
- CAS
36712-34-2- Standard SMILES
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1- InChIKey
OEAUPEOHNHSDSG-UHFFFAOYSA-N- Molecular formula
- C12H7N3O6
- Average molar mass
- 289.2 g/mol
- Monoisotopic mass
- 289.03348495
Names & identifiers
- Preferred name
- 1,1'-Biphenyl, 2,4,4'-trinitro-
- IUPAC
- 2,4-dinitro-1-(4-nitrophenyl)benzene
- English name
- 244Trinitrobiphenyl
- Molecular formula
- C12H7N3O6
- Molecular weight
- 289.20048
Names & synonyms
2,4,4'-Trinitrobiphenyl1,1'-BIPHENYL, 2,4,4'-TRINITRO-CCRIS 411736712-34-2BRN 2568504DTXSID301901802-05-00-00493 (Beilstein Handbook Reference)RefChem:212283DTXCID401126712,4-dinitro-1-(4-nitrophenyl)benzene2,4,4'-TRINITRO-1,1'-BIPHENYL2,4,4'-Trinitro-biphenyl
Show more names
CHEMBL164510AKOS015962833ST50544232
Database identifiers
- CAS
36712-34-2- PubChem CID
- 37515
- DTXSID
DTXSID30190180- ChEMBL
CHEMBL164510- Nikkaji
- J2.168.938F
Properties
Computed structural properties
- XLogP
- 3
- 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
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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