Basic information
- CAS
61661-17-4- Standard SMILES
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc21- InChIKey
ALIVNIMDJGLSCR-UHFFFAOYSA-N- Molecular formula
- C16H11NO3
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.07389321
Names & identifiers
- Preferred name
- 2-(4-Nitrobenzylidene)indan-1-one
- IUPAC
- 2-[(4-nitrophenyl)methylidene]-3H-inden-1-one
Names & synonyms
2-(4-nitrobenzylidene)indan-1-one61661-17-4SCHEMBL7000855DTXSID10327194ALIVNIMDJGLSCR-UHFFFAOYSA-NAKOS0307459132-[(4-nitrophenyl)methylidene]-2,3-dihydro-1H-inden-1-one
Database identifiers
- CAS
61661-17-4- PubChem CID
- 367229
- DTXSID
DTXSID10327194
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
Related reactions
3 records
Compound notes
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