3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one
Basic information
- CAS
391613-95-9- Standard SMILES
O=C1Nc2ccccc2C1=Cc1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
PHKDAHPCWFOZDP-UHFFFAOYSA-N- Molecular formula
- C15H9ClN2O3
- Average molar mass
- 300.69 g/mol
Names & identifiers
- Preferred name
- 3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one
- IUPAC
- 3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one
- English name
- 3-[(E)-(4-Chloro-3-nitrophenyl)methylidene]-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C15H9ClN2O3
- Molecular weight
- 300.7
Names & synonyms
AKOS0306533382H-Indol-2-one, 3-[(4-chloro-3-nitrophenyl)methylene]-1,3-dihydro-3-[(E)-(4-Chloro-3-nitrophenyl)methylidene]-1,3-dihydro-2H-indol-2-one(3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-2,3-dihydro-1H-indol-2-one
Database identifiers
- CAS
391613-95-9
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Boiling point
- 541.9 · 541.9±50.0 °C(Predicted)
- Density
- 1.483 · 1.483±0.06 g/cm3(Predicted)
- pka
- 12.45 · 12.45±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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