2-Acetyl-4-nitro-1h-isoindole-1,3(2h)-dione
Basic information
- CAS
6637-55-4- Standard SMILES
CC(=O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O- InChIKey
NOVSWSHOJUDPRJ-UHFFFAOYSA-N- Molecular formula
- C10H6N2O5
- Average molar mass
- 234.16 g/mol
- Monoisotopic mass
- 234.0276713
Names & identifiers
- Preferred name
- 2-Acetyl-4-nitro-1h-isoindole-1,3(2h)-dione
- IUPAC
- 2-acetyl-4-nitroisoindole-1,3-dione
Names & synonyms
6637-55-42-Acetyl-4-nitroisoindoline-1,3-dione2-acetyl-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione2-acetyl-4-nitro-1h-isoindole-1,3(2h)-dioneNSC52672DTXSID50287829NSC-52672
Database identifiers
- CAS
6637-55-4- PubChem CID
- 243268
- DTXSID
DTXSID50287829
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 413
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Related reactions
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Compound notes
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