Basic information
- CAS
66209-43-6- Standard SMILES
O=C1CCc2ccccc2C1Cc1ccc([N+](=O)[O-])cc1- InChIKey
LYFOFSQYEMDIQG-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- 1-[(4-Nitrophenyl)methyl]-3,4-dihydronaphthalen-2(1H)-one
- IUPAC
- 1-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one
Names & synonyms
66209-43-6DTXSID604952511-[(4-Nitrophenyl)methyl]-3,4-dihydronaphthalen-2(1H)-one
Database identifiers
- CAS
66209-43-6- PubChem CID
- 12378058
- DTXSID
DTXSID60495251
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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