Basic information
- CAS
27331-37-9- Standard SMILES
N#Cc1ccc(-c2cccc3ccccc23)cc1- InChIKey
MDQFZPMHRMBGBO-UHFFFAOYSA-N- Molecular formula
- C17H11N
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.08914936
Names & identifiers
- Preferred name
- Benzonitrile, 4-(1-naphthalenyl)-
- IUPAC
- 4-naphthalen-1-ylbenzonitrile
Names & synonyms
4-(Naphthalen-1-yl)benzonitrilebenzonitrile, 4-(1-naphthalenyl)-27331-37-94-(1-naphthyl)benzonitrile4-(1-Naphthalenyl)benzonitrileSCHEMBL10296082DTXSID10349134InChI=1/C17H11N/c18-12-13-8-10-15(11-9-13)17-7-3-5-14-4-1-2-6-16(14)17/h1-11
Database identifiers
- CAS
27331-37-9- PubChem CID
- 643259
- DTXSID
DTXSID10349134- Nikkaji
- J997.189K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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