1,5-Bis(2-hydroxy-5-nitrobenzylideneamino)naphthalene
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Basic information
- CAS
303216-45-7- Standard SMILES
O=[N+]([O-])c1ccc(O)c(C=Nc2cccc3c(N=Cc4cc([N+](=O)[O-])ccc4O)cccc23)c1- InChIKey
HPLZEKWZURHABD-UHFFFAOYSA-N- Molecular formula
- C24H16N4O6
- Average molar mass
- 456.4 g/mol
- Monoisotopic mass
- 456.10698424
Names & identifiers
- Preferred name
- 1,5-Bis(2-hydroxy-5-nitrobenzylideneamino)naphthalene
- IUPAC
- 2-[[5-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4-nitrophenol
- English name
- 2-({[5-({2-hydroxy-5-nitrobenzylidene}amino)-1-naphthyl]imino}methyl)-4-nitrophenol
- Molecular formula
- C24H16N4O6
- Molecular weight
- 456.41
Names & synonyms
1,5-Bis(2-hydroxy-5-nitrobenzylideneamino)naphthaleneAG-690/33064033HPLZEKWZURHABD-WFBNZKAHSA-NSTL163507AKOS0036165342,2'-{naphthalene-1,5-diylbis[nitrilo(E)methylylidene]}bis(4-nitrophenol)2-({[5-({2-hydroxy-5-nitrobenzylidene}amino)-1-naphthyl]imino}methyl)-4-nitrophenol2-[[5-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4-nitrophenol2-((Z)-[(5-([(Z)-(2-Hydroxy-5-nitrophenyl)methylidene]amino)-1-naphthyl)imino]methyl)-4-nitrophenol #
Database identifiers
- CAS
303216-45-7- PubChem CID
- 4227423
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 716
Physicochemical properties
- Boiling point
- 740.242 · 740.242±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.43 · 1.430±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.533 · 5.533±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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