6-[(3,4-Dichlorophenyl)(hydroxyamino)methylidene]-4-ethylcyclohexa-2,4-dien-1-one
Basic information
- CAS
61466-86-2- Standard SMILES
CCc1ccc(O)c(/C(=N/O)c2ccc(Cl)c(Cl)c2)c1- InChIKey
OKPGYOFSSWLGME-OBGWFSINSA-N- Molecular formula
- C15H13Cl2NO2
- Average molar mass
- 310.2 g/mol
- Monoisotopic mass
- 309.032334
Names & identifiers
- Preferred name
- 6-[(3,4-Dichlorophenyl)(hydroxyamino)methylidene]-4-ethylcyclohexa-2,4-dien-1-one
- IUPAC
- 2-[(E)-C-(3,4-dichlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol
Names & synonyms
CHEMBL25562DTXSID808171986-[(3,4-Dichlorophenyl)(hydroxyamino)methylidene]-4-ethylcyclohexa-2,4-dien-1-one61466-86-2
Database identifiers
- CAS
61466-86-2- PubChem CID
- 136100356
- DTXSID
DTXSID80817198- ChEMBL
CHEMBL25562
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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