4-Oct-1-ynylbenzonitrile
Basic information
- CAS
312708-98-8- Standard SMILES
CCCCCCC#Cc1ccc(C#N)cc1- InChIKey
NZAFXMNWVHJORA-UHFFFAOYSA-N- Molecular formula
- C15H17N
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.13609955
Names & identifiers
- Preferred name
- 4-Oct-1-ynylbenzonitrile
- IUPAC
- 4-oct-1-ynylbenzonitrile
Names & synonyms
4-(oct-1-yn-1-yl)benzonitrileBenzonitrile, 4-(1-octynyl)-312708-98-84-oct-1-ynylbenzonitrile4-(1-Octynyl)benzonitrile #SCHEMBL12348503DTXSID80344555NZAFXMNWVHJORA-UHFFFAOYSA-N
Database identifiers
- CAS
312708-98-8- PubChem CID
- 597797
- DTXSID
DTXSID80344555- Nikkaji
- J1.484.979C
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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