2,4,6-Trinitrophenol-4-ethyl-3-methylquinoline(1:1)
Basic information
- CAS
5659-29-0- Standard SMILES
CCc1c(C)cnc2ccccc12.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
AZQZXNGKZGBETE-UHFFFAOYSA-N- Molecular formula
- C18H16N4O7
- Average molar mass
- 400.3 g/mol
- Monoisotopic mass
- 400.10189886
Names & identifiers
- Preferred name
- 2,4,6-Trinitrophenol-4-ethyl-3-methylquinoline(1:1)
- IUPAC
- 4-ethyl-3-methylquinoline;2,4,6-trinitrophenol
Names & synonyms
5659-29-02,4,6-trinitrophenol- 4-ethyl-3-methylquinoline(1:1)NSC1084924-ethyl-3-methyl-quinolineDTXSID70296256NSC-108492DS-0150072,4,6-Trinitrophenol--4-ethyl-3-methylquinoline (1/1)
Database identifiers
- CAS
5659-29-0- PubChem CID
- 268334
- DTXSID
DTXSID70296256
Properties
Computed structural properties
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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