5-Nitro-2-((3-nitro-benzylidene)-amino)-phenol
Basic information
- CAS
329935-79-7- Standard SMILES
O=[N+]([O-])c1cccc(C=Nc2ccc([N+](=O)[O-])cc2O)c1- InChIKey
LCZCCUBBAXCVRY-UHFFFAOYSA-N- Molecular formula
- C13H9N3O5
- Average molar mass
- 287.23 g/mol
- Monoisotopic mass
- 287.0542204
Names & identifiers
- Preferred name
- 5-Nitro-2-((3-nitro-benzylidene)-amino)-phenol
- IUPAC
- 5-nitro-2-[(3-nitrophenyl)methylideneamino]phenol
- English name
- 5-Nitro-2-((3-nitro-benzylidene)-amino)-phenol
- Molecular formula
- C13H9N3O5
- Molecular weight
- 287.23
Names & synonyms
AKOS024275134ST0102702-[(1E)-2-(3-nitrophenyl)-1-azavinyl]-5-nitrophenol5-NITRO-2-((3-NITRO-BENZYLIDENE)-AMINO)-PHENOLPhenol, 5-nitro-2-[[(3-nitrophenyl)methylene]amino]-
Database identifiers
- CAS
329935-79-7- PubChem CID
- 3963735
- EC Number
- 167-780-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Boiling point
- 540.339 · 540.339±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.453 · 1.453±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.573 · 7.573±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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