Basic information
- CAS
3532-68-1- Standard SMILES
O=C1c2ccccc2C(O)(c2ccccc2)N1c1ccccc1[N+](=O)[O-]- InChIKey
OZAFAASCQFELKO-UHFFFAOYSA-N- Molecular formula
- C20H14N2O4
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.09535693
Names & identifiers
- Preferred name
- 3-Hydroxy-2-(2-nitrophenyl)-3-phenyl-2,3-dihydro-1h-isoindol-1-one
- IUPAC
- 3-hydroxy-2-(2-nitrophenyl)-3-phenylisoindol-1-one
Names & synonyms
3532-68-13-hydroxy-2-(2-nitrophenyl)-3-phenyl-2,3-dihydro-1h-isoindol-1-one3-hydroxy-2-(2-nitrophenyl)-3-phenylisoindolin-1-oneNSC59312NCIOpen2_007846DTXSID10289127NSC-59312
Database identifiers
- CAS
3532-68-1- PubChem CID
- 246359
- DTXSID
DTXSID10289127
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 557
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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