Basic information
- CAS
55691-69-5- Standard SMILES
O=[N+]([O-])c1ccc2c3c(ccc([N+](=O)[O-])c13)-c1ccccc1-2- InChIKey
VNUUPDIHBNDQJJ-UHFFFAOYSA-N- Molecular formula
- C16H8N2O4
- Average molar mass
- 292.24 g/mol
- Monoisotopic mass
- 292.04840674
Names & identifiers
- Preferred name
- 3,4-Dinitrofluoranthene
- IUPAC
- 3,4-dinitrofluoranthene
- English name
- 3,4-dinitrofluoranthene
- Molecular formula
- C16H8N2O4
- Molecular weight
- 292.25
Names & synonyms
3,4-Dinitrofluoranthene55691-69-5FLUORANTHENE, 3,4-DINITRO-DTXSID60204224RefChem:910645DTXCID60126715CCRIS 2055BRN 2337580Fluoranthene, 3,4-dinitro4-05-00-02466 (Beilstein Handbook Reference)CHEMBL165479VNUUPDIHBNDQJJ-UHFFFAOYSA-N
Database identifiers
- CAS
55691-69-5- PubChem CID
- 41534
- DTXSID
DTXSID60204224- ChEMBL
CHEMBL165479- Nikkaji
- J541.832A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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