2-Hydroxy-1,3-dinitrocarbazole
Basic information
- CAS
153654-34-3- Standard SMILES
O=[N+]([O-])c1cc2c([nH]c3ccccc32)c([N+](=O)[O-])c1O- InChIKey
WSIGXFLIKCSQQB-UHFFFAOYSA-N- Molecular formula
- C12H7N3O5
- Average molar mass
- 273.2 g/mol
- Monoisotopic mass
- 273.03857033
Names & identifiers
- Preferred name
- 2-Hydroxy-1,3-dinitrocarbazole
- IUPAC
- 1,3-dinitro-9H-carbazol-2-ol
- English name
- 2-Hydroxy-1,3-dinitrocarbazole
- Molecular formula
- C12H7N3O5
- Molecular weight
- 273.2
Names & synonyms
2-Hydroxy-1,3-dinitrocarbazole1,3-dinitro-9H-carbazol-2-ol153654-34-3CCRIS 6775562W4YQ6GNDTXSID101653919H-Carbazol-2-ol, 1,3-dinitro-
Database identifiers
- CAS
153654-34-3- PubChem CID
- 5488465
- DTXSID
DTXSID10165391- UNII
- 562W4YQ6GN
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Boiling point
- 470.2 · 470.2±40.0 °C(Predicted)
- Density
- 1.728 · 1.728±0.06 g/cm3(Predicted)
- pka
- 4.39 · 4.39±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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