Basic information
- CAS
312746-98-8- Standard SMILES
CC(=O)c1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1- InChIKey
KIXNVYBCSFRSCF-UHFFFAOYSA-N- Molecular formula
- C22H14N2O6
- Average molar mass
- 402.4 g/mol
Names & identifiers
- Preferred name
- 2-(4-Acetylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione
- IUPAC
- 2-(4-acetylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione
- English name
- 2-(4-acetylphenyl)-5-{3-nitrophenoxy}-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C22H14N2O6
- Molecular weight
- 402.35636
Names & synonyms
2-(4-acetylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione2-(4-acetylphenyl)-5-(3-nitrophenoxy)-1H-isoindole-1,3(2H)-dione2-(4-acetylphenyl)-5-{3-nitrophenoxy}-1H-isoindole-1,3(2H)-dioneSTK359156AKOS001591723AG-205/33168055SR-01000391572SR-01000391572-1312746-98-8
Database identifiers
- CAS
312746-98-8
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 711
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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