1-{4-[(3,5-Dichloro-2-hydroxybenzylidene)amino]phenyl}ethanone
Basic information
- CAS
299201-28-8- Standard SMILES
CC(=O)c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1- InChIKey
RDOHNNVUEOTGON-UHFFFAOYSA-N- Molecular formula
- C15H11Cl2NO2
- Average molar mass
- 308.2 g/mol
- Monoisotopic mass
- 307.016684
Names & identifiers
- Preferred name
- 1-{4-[(3,5-Dichloro-2-hydroxybenzylidene)amino]phenyl}ethanone
- IUPAC
- 1-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethanone
- English name
- 1-{4-[(3,5-dichloro-2-hydroxybenzylidene)amino]phenyl}ethanone
- Molecular formula
- C15H11Cl2NO2
- Molecular weight
- 308.16
Names & synonyms
1-{4-[(3,5-dichloro-2-hydroxybenzylidene)amino]phenyl}ethanoneCBDivE_008766STK098888(6E)-6-[(4-acetylanilino)methylidene]-2,4-dichlorocyclohexa-2,4-dien-1-oneAKOS000483230299201-28-8AN-329/40099492(E)-1-(4-((3,5-dichloro-2-hydroxybenzylidene)amino)phenyl)ethanone1-(4-{[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}phenyl)ethan-1-one1-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethanone1-(4-{[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}phenyl)ethanoneEthanone, 1-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylene]amino]phenyl]-
Database identifiers
- CAS
299201-28-8- PubChem CID
- 689183
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 477.8 · 477.8±45.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 6.28 · 6.28±0.48(Predicted)
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Compound notes
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