Basic information
- CAS
832733-70-7- Standard SMILES
O=[N+]([O-])c1ccc(O)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1- InChIKey
NUWBLDAYEQDKLA-UHFFFAOYSA-N- Molecular formula
- C12H7N5O9
- Average molar mass
- 365.21 g/mol
- Monoisotopic mass
- 365.02437682
Names & identifiers
- Preferred name
- 4-Nitro-2-(2,4,6-trinitroanilino)phenol
- IUPAC
- 4-nitro-2-(2,4,6-trinitroanilino)phenol
Names & synonyms
4-Nitro-2-(2,4,6-trinitroanilino)phenol832733-70-7DTXSID60835178RefChem:294997DTXCID40785920
Database identifiers
- CAS
832733-70-7- PubChem CID
- 71415768
- DTXSID
DTXSID60835178
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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