Basic information
- CAS
95576-77-5- Standard SMILES
O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccc([N+](=O)[O-])cc3)C4=O)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1- InChIKey
VQQONKSLROYGOZ-UHFFFAOYSA-N- Molecular formula
- C28H14N4O9
- Average molar mass
- 550.4 g/mol
- Monoisotopic mass
- 550.07607804
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 5,5'-oxybis[2-(4-nitrophenyl)-
- IUPAC
- 2-(4-nitrophenyl)-5-[2-(4-nitrophenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
Names & synonyms
1H-Isoindole-1,3(2H)-dione, 5,5'-oxybis[2-(4-nitrophenyl)-95576-77-5DTXSID203893445,5'-Oxybis[2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione]
Database identifiers
- CAS
95576-77-5- PubChem CID
- 3109986
- DTXSID
DTXSID20389344
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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