Basic information
- CAS
65418-96-4- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccc(-c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1- InChIKey
PRHKRGIYGFKUHD-UHFFFAOYSA-N- Molecular formula
- C16H6N6O13
- Average molar mass
- 490.25 g/mol
- Monoisotopic mass
- 489.99928427
Names & identifiers
- Preferred name
- 2,5-Bis(2,4,6-trinitrophenyl)furan
- IUPAC
- 2,5-bis(2,4,6-trinitrophenyl)furan
Names & synonyms
2,5-Bis(2,4,6-trinitrophenyl)furan65418-96-4SCHEMBL11741507DTXSID40495198
Database identifiers
- CAS
65418-96-4- PubChem CID
- 12377579
- DTXSID
DTXSID40495198
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 288 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 779
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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