2,4,6-Trinitrophenol-2-(pyridin-4-yl)ethanol(1:1)
Basic information
- CAS
32080-61-8- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.OCCc1ccncc1- InChIKey
ZQLDFTDEAKQWHU-UHFFFAOYSA-N- Molecular formula
- C13H12N4O8
- Average molar mass
- 352.26 g/mol
- Monoisotopic mass
- 352.06551335
Names & identifiers
- Preferred name
- 2,4,6-Trinitrophenol-2-(pyridin-4-yl)ethanol(1:1)
- IUPAC
- 2-pyridin-4-ylethanol;2,4,6-trinitrophenol
Names & synonyms
32080-61-82,4,6-trinitrophenol- 2-(pyridin-4-yl)ethanol(1:1)NSC111260DTXSID60296740NSC-1112602-(Pyridin-4-yl)ethan-1-ol--2,4,6-trinitrophenol (1/1)
Database identifiers
- CAS
32080-61-8- PubChem CID
- 269759
- DTXSID
DTXSID60296740
Properties
Computed structural properties
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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