4-[2-(5-Chloropyridin-2-yl)hydrazinylidene]-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
Basic information
- CAS
64340-05-2- Standard SMILES
Cc1cc(O)c(C(C)C)cc1N=Nc1ccc(Cl)cn1- InChIKey
LBQQVFVSWBAURQ-UHFFFAOYSA-N- Molecular formula
- C15H16ClN3O
- Average molar mass
- 289.76 g/mol
- Monoisotopic mass
- 289.0981898
Names & identifiers
- Preferred name
- 4-[2-(5-Chloropyridin-2-yl)hydrazinylidene]-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
- IUPAC
- 4-[(5-chloro-2-pyridinyl)diazenyl]-5-methyl-2-propan-2-ylphenol
Names & synonyms
64340-05-2DTXSID508025764-[2-(5-Chloropyridin-2-yl)hydrazinylidene]-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
Database identifiers
- CAS
64340-05-2- PubChem CID
- 136275201
- DTXSID
DTXSID50802576
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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