Basic information
- CAS
322666-04-6- Standard SMILES
CCCCCCOc1ccc(-c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)cc1- InChIKey
CRSQODSWTBUKPF-UHFFFAOYSA-N- Molecular formula
- C26H25N3O4
- Average molar mass
- 443.5 g/mol
Names & identifiers
- Preferred name
- 3-[4'-(Hexyloxy)biphenyl-4-yl]-5-(4-nitrophenyl)-1,2,4-oxadiazole
- IUPAC
- 3-[4-(4-hexoxyphenyl)phenyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole
- English name
- 3-[4'-(hexyloxy)[1,1'-biphenyl]-4-yl]-5-{4-nitrophenyl}-1,2,4-oxadiazole
- Molecular formula
- C26H25N3O4
- Molecular weight
- 443.49
Names & synonyms
3-[4'-(hexyloxy)biphenyl-4-yl]-5-(4-nitrophenyl)-1,2,4-oxadiazole3-[4'-(hexyloxy)[1,1'-biphenyl]-4-yl]-5-{4-nitrophenyl}-1,2,4-oxadiazole322666-04-63-[4-(4-hexoxyphenyl)phenyl]-5-(4-nitrophenyl)-1,2,4-oxadiazoleSTK020526AKOS005378894AG-690/099400131,2,4-Oxadiazole, 3-[4'-(hexyloxy)[1,1'-biphenyl]-4-yl]-5-(4-nitrophenyl)-
Database identifiers
- CAS
322666-04-6
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 577
Physicochemical properties
- Boiling point
- 614.8 · 614.8±65.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- pka
- -2.92 · -2.92±0.30(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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