2,4,6-Trinitrophenol-2,6-dimethylpyridine(1:1)
Basic information
- CAS
16625-32-4- Standard SMILES
Cc1cccc(C)n1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
UHJSWTMAFXMJEH-UHFFFAOYSA-N- Molecular formula
- C13H12N4O7
- Average molar mass
- 336.26 g/mol
- Monoisotopic mass
- 336.07059873
Names & identifiers
- Preferred name
- 2,4,6-Trinitrophenol-2,6-dimethylpyridine(1:1)
- IUPAC
- 2,6-dimethylpyridine;2,4,6-trinitrophenol
Names & synonyms
16625-32-42,4,6-trinitrophenol- 2,6-dimethylpyridine(1:1)NSC136966DTXSID90300425NSC-1369662,6-dimethylpyridine;2,4,6-trinitrophenol2,4,6-Trinitrophenol-2,6-dimethylpyridine(1:1)2,4,6-Trinitrophenol--2,6-dimethylpyridine (1/1)
Database identifiers
- CAS
16625-32-4- PubChem CID
- 282871
- DTXSID
DTXSID90300425
Properties
Computed structural properties
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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