N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-nitroaniline
Basic information
- CAS
5271-42-1- Standard SMILES
O=[N+]([O-])c1ccc(N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1- InChIKey
AHWZXWWRVZACLB-OVCLIPMQSA-N- Molecular formula
- C13H9ClN4O4
- Average molar mass
- 320.69 g/mol
- Monoisotopic mass
- 320.0312325
Names & identifiers
- Preferred name
- N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-nitroaniline
- IUPAC
- N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-nitroaniline
Names & synonyms
5271-42-1BAS 00484772DTXSID00416263N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-nitroanilineSTK026564AKOS0004832234-chloro-3-nitrobenzaldehyde (4-nitrophenyl)hydrazone(1E)-1-(4-chloro-3-nitrobenzylidene)-2-(4-nitrophenyl)hydrazine(1E)-1-[(4-Chloro-3-nitrophenyl)methylidene]-2-(4-nitrophenyl)hydrazine
Database identifiers
- CAS
5271-42-1- PubChem CID
- 5331561
- DTXSID
DTXSID00416263
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 429
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Compound notes
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