4-Chloro-3-octyloxybenzonitrile
Basic information
- Standard SMILES
CCCCCCCCOc1cc(C#N)ccc1Cl- InChIKey
OPCDRBZYWLRZAA-UHFFFAOYSA-N- Molecular formula
- C15H20ClNO
- Average molar mass
- 265.78 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-3-octyloxybenzonitrile
- IUPAC
- 4-chloro-3-octoxybenzonitrile
Names & synonyms
SCHEMBL88774654-chloro-3-octyloxybenzonitrileOPCDRBZYWLRZAA-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21463669
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Related reactions
2 records
Compound notes
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