Benzonitrile, 4-(6-propyl-2-naphthalenyl)-
Basic information
- CAS
87633-71-4- Standard SMILES
CCCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1- InChIKey
MPBIEVLUEVMDFD-UHFFFAOYSA-N- Molecular formula
- C20H17N
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.13609955
Names & identifiers
- Preferred name
- Benzonitrile, 4-(6-propyl-2-naphthalenyl)-
- IUPAC
- 4-(6-propylnaphthalen-2-yl)benzonitrile
Names & synonyms
Benzonitrile, 4-(6-propyl-2-naphthalenyl)-4-(6-propylnaphthalen-2-yl)benzonitrile87633-71-4SCHEMBL3168778DTXSID20347121MPBIEVLUEVMDFD-UHFFFAOYSA-N4-(6-Propyl-2-naphthyl)benzonitrile #4-(6-Propyl-naphthalen-2-yl)-benzonitrile
Database identifiers
- CAS
87633-71-4- PubChem CID
- 618083
- DTXSID
DTXSID20347121
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…