2-(p-Nitrobenzal)-cyclohexanone
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Basic information
- Standard SMILES
O=C1CCCCC1=Cc1ccc([N+](=O)[O-])cc1- InChIKey
WKEXENOSHSPMMW-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
Names & identifiers
- Preferred name
- 2-(p-Nitrobenzal)-cyclohexanone
- IUPAC
- 2-[(4-nitrophenyl)methylidene]cyclohexan-1-one
Names & synonyms
SCHEMBL34379432-(p-nitrobenzal)-cyclohexanoneWKEXENOSHSPMMW-UHFFFAOYSA-NNCI60_024896
Database identifiers
- PubChem CID
- 279740
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 335
Related reactions
1 records
Compound notes
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