Basic information
- CAS
93657-15-9- Standard SMILES
O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(I)cc1- InChIKey
VQOZFVVTMCPIJO-UHFFFAOYSA-N- Molecular formula
- C18H10INO2
- Average molar mass
- 399.2 g/mol
- Monoisotopic mass
- 398.97563
Names & identifiers
- Preferred name
- 2-(4-iodophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
- IUPAC
- 2-(4-iodophenyl)benzo[de]isoquinoline-1,3-dione
- English name
- 2-(4-iodophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
- Molecular formula
- C18H10INO2
- Molecular weight
- 399.18197
Names & synonyms
2-(4-iodophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione2-(4-iodophenyl)benzo[de]isoquinoline-1,3-dioneOprea1_512146N-(4-iodophenyl)-naphthalimideSCHEMBL25335143STK671060AKOS005592476ST4017786EU-0084341AG-205/34707053SR-01000089509SR-01000089509-1
Database identifiers
- CAS
93657-15-9- PubChem CID
- 1040770
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 442
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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