Basic information
- CAS
88589-99-5- Standard SMILES
N#CCc1ccccc1-c1cccc2ccccc12- InChIKey
IUXMPBXESMVYJQ-UHFFFAOYSA-N- Molecular formula
- C18H13N
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.10479942
Names & identifiers
- Preferred name
- [2-(Naphthalen-1-yl)phenyl]acetonitrile
- IUPAC
- 2-(2-naphthalen-1-ylphenyl)acetonitrile
Names & synonyms
88589-99-52-(2-(Naphthalen-1-yl)phenyl)acetonitrile[2-(naphthalen-1-yl)phenyl]acetonitrile2-[2-(NAPHTHALEN-1-YL)PHENYL]ACETONITRILENSC97678SCHEMBL11830993DTXSID80294708NSC-97678
Database identifiers
- CAS
88589-99-5- PubChem CID
- 263291
- DTXSID
DTXSID80294708
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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