4-(2,4-dichlorophenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]butanamide
Basic information
- CAS
543705-24-4- Standard SMILES
O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2- InChIKey
PXIKZFVERXCJPZ-UHFFFAOYSA-N- Molecular formula
- C18H15Cl2N3O6
- Average molar mass
- 440.2 g/mol
Names & identifiers
- Preferred name
- 4-(2,4-dichlorophenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]butanamide
- IUPAC
- 4-(2,4-dichlorophenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]butanamide
- English name
- 4-(2,4-dichlorophenoxy)-N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)butanohydrazide
- Molecular formula
- C18H15Cl2N3O6
- Molecular weight
- 440.23
Names & synonyms
4-(2,4-dichlorophenoxy)-N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)butanohydrazide
Database identifiers
- CAS
543705-24-4
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 605
Physicochemical properties
- Density
- 1.535 · 1.535±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.655 · 12.655±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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