2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1)
Basic information
- CAS
70243-40-2- Standard SMILES
C1CC2CCCC(C1)N2.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
LFYGOENPGMJALV-UHFFFAOYSA-N- Molecular formula
- C14H18N4O7
- Average molar mass
- 354.32 g/mol
- Monoisotopic mass
- 354.11754893
Names & identifiers
- Preferred name
- 2,4,6-Trinitrophenol-9-azabicyclo[3.3.1]nonane(1:1)
- IUPAC
- 9-azabicyclo[3.3.1]nonane;2,4,6-trinitrophenol
Names & synonyms
70243-40-22,4,6-trinitrophenol- 9-azabicyclo[3.3.1]nonane(1:1)NSC145080DTXSID00301640NSC-1450802,4,6-Trinitrophenol--9-azabicyclo[3.3.1]nonane (1/1)
Database identifiers
- CAS
70243-40-2- PubChem CID
- 286594
- DTXSID
DTXSID00301640
Properties
Computed structural properties
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 372
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Related reactions
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Compound notes
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