Basic information
- CAS
4097-58-9- Standard SMILES
O=[N+]([O-])c1cc(C2CCCCC2)cc([N+](=O)[O-])c1O- InChIKey
FQTXZQQAXMVGTE-UHFFFAOYSA-N- Molecular formula
- C12H14N2O5
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.09027155
Names & identifiers
- Preferred name
- 4-Cyclohexyl-2,6-dinitrophenol
- IUPAC
- 4-cyclohexyl-2,6-dinitrophenol
- English name
- 4-CYCLOHEXYL-2,6-DINITROPHENOL
- Molecular weight
- 0
Names & synonyms
4-CYCLOHEXYL-2,6-DINITROPHENOL4097-58-9DTXSID70193973
Database identifiers
- CAS
4097-58-9- PubChem CID
- 20044
- DTXSID
DTXSID70193973- Nikkaji
- J1.553.711F
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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