1H-Benz(f)indole-2,3-dione
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Basic information
- CAS
5810-96-8- Standard SMILES
O=C1Nc2cc3ccccc3cc2C1=O- InChIKey
XHORCFOVPVATAY-UHFFFAOYSA-N- Molecular formula
- C12H7NO2
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.04767847
Names & identifiers
- Preferred name
- 1H-Benz(f)indole-2,3-dione
- IUPAC
- 1H-benzo[f]indole-2,3-dione
- English name
- 1H-Benz[f]indole-2,3-dione
- Molecular formula
- C12H7NO2
- Molecular weight
- 197.19
Names & synonyms
5810-96-81H-Benz(f)indole-2,3-dione1H-Benz[f]indole-2,3-dioneDTXSID60206829RefChem:1057805DTXCID401293201H-Benzo[f]indole-2,3-dione5,6-BenzoisatinBenz(f)isatinBenz(f)indoline-2,3-dioneBRN 01506654-21-00-05549 (Beilstein Handbook Reference)
Show more names
Benz[f]isatin
SCHEMBL3737924XHORCFOVPVATAY-UHFFFAOYSA-N
Database identifiers
- CAS
5810-96-8- PubChem CID
- 201324
- DTXSID
DTXSID60206829- Nikkaji
- J38.210H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Density
- 1.391 · 1.391±0.06 g/cm3(Predicted)
- pka
- 9.33 · 9.33±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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