Basic information
- CAS
73018-40-3- Standard SMILES
CCCCCCCCCCCCc1ccccc1[N+](=O)[O-].Cl.Nc1ccccc1.O=[N+]([O-])c1ccccc1.[Fe]- InChIKey
LMOFPTAKDFJJST-UHFFFAOYSA-N- Molecular formula
- C30H42ClFeN3O4
- Average molar mass
- 600 g/mol
- Monoisotopic mass
- 599.22132
Names & identifiers
- Preferred name
- Aniline;1-dodecyl-2-nitrobenzene;iron;nitrobenzene;hydrochloride
- IUPAC
- aniline;1-dodecyl-2-nitrobenzene;iron;nitrobenzene;hydrochloride
Database identifiers
- CAS
73018-40-3- PubChem CID
- 175385
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…