Basic information
- Standard SMILES
O=C1c2ccccc2C(=O)N1c1ccccc1[N+](=O)[O-]- InChIKey
FHPIULWDFMBJQJ-UHFFFAOYSA-N- Molecular formula
- C14H8N2O4
- Average molar mass
- 268.22 g/mol
- Monoisotopic mass
- 268.04840674
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 2-(2-nitrophenyl)-
- IUPAC
- 2-(2-nitrophenyl)isoindole-1,3-dione
Names & synonyms
34442-94-92-(2-nitrophenyl)isoindole-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(2-nitrophenyl)-N-(2-Nitrophenyl)phthalimideUAU9RK6UHZ2-(2-Nitrophenyl)-1H-isoindole-1,3(2H)-dioneNSC 406341NSC-406341AI3-02612DTXSID40188013N-(O-NITROPHENYL)PHTHALIMIDERefChem:79891
Show more names
DTXCID70110504FHPIULWDFMBJQJ-UHFFFAOYSA-N2-(2-Nitrophenyl)isoindoline-1,3-dioneCHEMBL976722-(2-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dioneNSC406341UNII-UAU9RK6UHZCBDivE_005823
Database identifiers
- CAS
34442-94-9- PubChem CID
- 101313
- DTXSID
DTXSID40188013- ChEMBL
CHEMBL97672- UNII
- UAU9RK6UHZ
- Nikkaji
- J871.388J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Related reactions
6 records
Linked notes
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