2-(2,4-Dinitrophenoxy)-4-iodobenzo[de]isoquinoline-1,3-dione
Basic information
- CAS
5532-75-2- Standard SMILES
O=C1c2cccc3ccc(I)c(c23)C(=O)N1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
RDTKBSXFIBKZKA-UHFFFAOYSA-N- Molecular formula
- C18H8IN3O7
- Average molar mass
- 505.2 g/mol
- Monoisotopic mass
- 504.9407
Names & identifiers
- Preferred name
- 2-(2,4-Dinitrophenoxy)-4-iodobenzo[de]isoquinoline-1,3-dione
- IUPAC
- 2-(2,4-dinitrophenoxy)-4-iodobenzo[de]isoquinoline-1,3-dione
Names & synonyms
5532-75-22-(2,4-dinitrophenoxy)-4-iodobenzo[de]isoquinoline-1,3-dioneZINC02898722CBMicro_023478Oprea1_539979DTXSID70367213CCG-10207BIM-0023601.P0012-(2,4-Dinitrophenoxy)-4-iodo-1H-benzo[de]isoquinoline-1,3(2H)-dione
Database identifiers
- CAS
5532-75-2- PubChem CID
- 2247807
- DTXSID
DTXSID70367213
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 723
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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