Basic information
- CAS
65418-98-6- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2oc(-c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])c([N+](=O)[O-])c2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
XEWWDZVSMXLSSJ-UHFFFAOYSA-N- Molecular formula
- C16H4N8O17
- Average molar mass
- 580.2 g/mol
- Monoisotopic mass
- 579.96944069
Names & identifiers
- Preferred name
- 3,4-Dinitro-2,5-bis(2,4,6-trinitrophenyl)furan
- IUPAC
- 3,4-dinitro-2,5-bis(2,4,6-trinitrophenyl)furan
Names & synonyms
65418-98-63,4-Dinitro-2,5-bis(2,4,6-trinitrophenyl)furanSCHEMBL7609703DTXSID00495199
Database identifiers
- CAS
65418-98-6- PubChem CID
- 12377580
- DTXSID
DTXSID00495199
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 380 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 2
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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