4,4'-[Pentane-1,5-diylbis(oxy)]bis(3-iodobenzonitrile)
Basic information
- CAS
50381-90-3- Standard SMILES
N#Cc1ccc(OCCCCCOc2ccc(C#N)cc2I)c(I)c1- InChIKey
LZPCAOORVVSZNK-UHFFFAOYSA-N- Molecular formula
- C19H16I2N2O2
- Average molar mass
- 558.2 g/mol
- Monoisotopic mass
- 557.93012
Names & identifiers
- Preferred name
- 4,4'-[Pentane-1,5-diylbis(oxy)]bis(3-iodobenzonitrile)
- IUPAC
- 4-[5-(4-cyano-2-iodophenoxy)pentoxy]-3-iodobenzonitrile
Names & synonyms
50381-90-3NSC1748594,4'-[Pentane-1,5-diylbis(oxy)]bis(3-iodobenzonitrile)DTXSID60306277NSC-174859
Database identifiers
- CAS
50381-90-3- PubChem CID
- 300441
- DTXSID
DTXSID60306277
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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