Basic information
- CAS
26258-71-9- Standard SMILES
CCOc1ccc(C(c2ccc(OCC)cc2)C(CC)[N+](=O)[O-])cc1- InChIKey
OMPQZFSIEGQWTR-UHFFFAOYSA-N- Molecular formula
- C20H25NO4
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.17835828
Names & identifiers
- Preferred name
- Butane, 1,1-bis(p-ethoxyphenyl)-2-nitro-
- IUPAC
- 1-ethoxy-4-[1-(4-ethoxyphenyl)-2-nitrobutyl]benzene
Names & synonyms
Butane, 1,1-bis(p-ethoxyphenyl)-2-nitro-26258-71-9RefChem:10802441,1-Bis(p-ethoxyphenyl)-2-nitrobutaneBRN 2010920DTXSID609491231,1-bis-(p-ethoxyphenyl)-2-nitrobutane1,1'-(2-nitrobutane-1,1-diyl)bis(4-ethoxybenzene)
Database identifiers
- CAS
26258-71-9- PubChem CID
- 33442
- DTXSID
DTXSID60949123- Nikkaji
- J1.611.369G
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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