(6E)-6-[(2,4-dichloroanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one
Basic information
- CAS
303771-90-6- Standard SMILES
O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(Cl)cc2Cl)c1- InChIKey
KXCWXFMRPXZNMY-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2N2O3
- Average molar mass
- 311.12 g/mol
- Monoisotopic mass
- 309.9911975
Names & identifiers
- Preferred name
- (6E)-6-[(2,4-dichloroanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one
- IUPAC
- 2-[(2,4-dichlorophenyl)iminomethyl]-4-nitrophenol
- English name
- 2-{[(2,4-dichlorophenyl)imino]methyl}-4-nitrophenol
- Molecular formula
- C13H8Cl2N2O3
- Molecular weight
- 311.12
Names & synonyms
5375-40-6AC1NSF8LDTXSID80416403STK010721(6E)-6-[(2,4-dichloroanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-oneAKOS000483667ST0096282-{(E)-[(2,4-dichlorophenyl)imino]methyl}-4-nitrophenol2-((2,4-DICHLORO-PHENYLIMINO)-METHYL)-4-NITRO-PHENOL2-[(1E)-2-(2,4-dichlorophenyl)-2-azavinyl]-4-nitrophenol2-{[(2,4-dichlorophenyl)imino]methyl}-4-nitrophenol
Database identifiers
- CAS
303771-90-6、5375-40-6- PubChem CID
- 690801
- DTXSID
DTXSID80416403- EC Number
- 141-548-1
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 527.459 · 527.459±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.475 · 1.475±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.302 · 5.302±0.16(predicted)
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Compound notes
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