Basic information
- CAS
868071-51-6- Standard SMILES
CCCCCCCCOc1cccc(OCCCCCCCC)c1[N+](=O)[O-]- InChIKey
OFEWSXHPFIDSDF-UHFFFAOYSA-N- Molecular formula
- C22H37NO4
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.27225866
Names & identifiers
- Preferred name
- 2-Nitro-1,3-bis-octyloxy-benzene
- IUPAC
- 2-nitro-1,3-dioctoxybenzene
Names & synonyms
2-Nitro-1,3-bis-octyloxy-benzene868071-51-6Benzene, 2-nitro-1,3-bis(octyloxy)-DTXSID80336915OFEWSXHPFIDSDF-UHFFFAOYSA-N2-NITRO-1,3-BIS(OCTYLOXY)BENZENE
Database identifiers
- CAS
868071-51-6- PubChem CID
- 537243
- DTXSID
DTXSID80336915
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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