6-[(4-Chlorophenyl)(hydroxyamino)methylidene]-4-propylcyclohexa-2,4-dien-1-one
Basic information
- CAS
61466-82-8- Standard SMILES
CCCc1ccc(O)c(/C(=N/O)c2ccc(Cl)cc2)c1- InChIKey
CTQSRLXBYYDGQK-FBMGVBCBSA-N- Molecular formula
- C16H16ClNO2
- Average molar mass
- 289.75 g/mol
- Monoisotopic mass
- 289.0869564
Names & identifiers
- Preferred name
- 6-[(4-Chlorophenyl)(hydroxyamino)methylidene]-4-propylcyclohexa-2,4-dien-1-one
- IUPAC
- 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-propylphenol
Names & synonyms
CHEMBL25561DTXSID908172006-[(4-Chlorophenyl)(hydroxyamino)methylidene]-4-propylcyclohexa-2,4-dien-1-one61466-82-8
Database identifiers
- CAS
61466-82-8- PubChem CID
- 136100355
- DTXSID
DTXSID90817200- ChEMBL
CHEMBL25561
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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