Ethanone, 1-(5-nitro-1-undecylnaphtho(2,1-b)furan-2-yl)-
Basic information
- CAS
95454-91-4- Standard SMILES
CCCCCCCCCCCc1c(C(C)=O)oc2cc([N+](=O)[O-])c3ccccc3c12- InChIKey
VCFMEOPGRHVLBV-UHFFFAOYSA-N- Molecular formula
- C25H31NO4
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.22530847
Names & identifiers
- Preferred name
- Ethanone, 1-(5-nitro-1-undecylnaphtho(2,1-b)furan-2-yl)-
- IUPAC
- 1-(5-nitro-1-undecylbenzo[e][1]benzofuran-2-yl)ethanone
Names & synonyms
Ethanone, 1-(5-nitro-1-undecylnaphtho(2,1-b)furan-2-yl)-95454-91-41-(5-Nitro-1-undecylnaphtho(2,1-b)furan-2-yl)ethanoneDTXSID702418471-(5-Nitro-1-undecylnaphtho[2,1-b]furan-2-yl)ethan-1-one
Database identifiers
- CAS
95454-91-4- PubChem CID
- 150389
- DTXSID
DTXSID70241847
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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