1-{3-[(3,5-Dichloro-2-hydroxybenzylidene)amino]phenyl}ethanone
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Basic information
- CAS
110729-96-9- Standard SMILES
CC(=O)c1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1- InChIKey
VNAYYFPJOUJOGK-UHFFFAOYSA-N- Molecular formula
- C15H11Cl2NO2
- Average molar mass
- 308.2 g/mol
- Monoisotopic mass
- 307.016684
Names & identifiers
- Preferred name
- 1-{3-[(3,5-Dichloro-2-hydroxybenzylidene)amino]phenyl}ethanone
- IUPAC
- 1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethanone
- English name
- 1-{3-[(3,5-dichloro-2-hydroxybenzylidene)amino]phenyl}ethanone
- Molecular formula
- C15H11Cl2NO2
- Molecular weight
- 308.16
Names & synonyms
1-{3-[(3,5-dichloro-2-hydroxybenzylidene)amino]phenyl}ethanoneSTK093386(6E)-6-[(3-acetylanilino)methylidene]-2,4-dichlorocyclohexa-2,4-dien-1-oneAKOS000488354ST035110AN-329/099990441-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethanone3-[(1E)-2-(3,5-dichloro-2-hydroxyphenyl)-1-azavinyl]-1-acetylbenzene1-(3-{[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}phenyl)ethanoneEthanone, 1-[3-[[(3,5-dichloro-2-hydroxyphenyl)methylene]amino]phenyl]-
Database identifiers
- CAS
110729-96-9- PubChem CID
- 681281
Properties
Computed structural propertiesFilling in
- 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
- 375
Physicochemical properties
- Melting point
- 185 °C · 185 °C
- Boiling point
- 479.4 · 479.4±45.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 6.3 · 6.30±0.48(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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