Basic information
- CAS
1585-11-1- Standard SMILES
N#CC(CCCCl)(c1ccccc1)c1ccccc1- InChIKey
FVQDPIBHRIMTMX-UHFFFAOYSA-N- Molecular formula
- C17H16ClN
- Average molar mass
- 269.8 g/mol
- Monoisotopic mass
- 269.0971272
Names & identifiers
- Preferred name
- 5-Chloro-2,2-diphenylpentanenitrile
- IUPAC
- 5-chloro-2,2-diphenylpentanenitrile
Names & synonyms
1585-11-15-chloro-2,2-diphenylpentanenitrileNSC287523SCHEMBL9911006DTXSID80314713FVQDPIBHRIMTMX-UHFFFAOYSA-N2,2-diphenyl-5-chlorovaleronitrileNSC-287523
Database identifiers
- CAS
1585-11-1- PubChem CID
- 324019
- DTXSID
DTXSID80314713- Nikkaji
- J1.540.227J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Related reactions
3 records
Compound notes
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