Basic information
- CAS
25025-17-6- Standard SMILES
N#CC(c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1- InChIKey
SIORBSHGXYTPIV-UHFFFAOYSA-N- Molecular formula
- C21H16ClN
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.0971272
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-3,3-diphenylpropanenitrile
- IUPAC
- 2-(4-chlorophenyl)-3,3-diphenylpropanenitrile
Names & synonyms
25025-17-62-(4-chlorophenyl)-3,3-diphenylpropanenitrileNSC287566SCHEMBL5998630DTXSID10314726NSC-287566
Database identifiers
- CAS
25025-17-6- PubChem CID
- 324056
- DTXSID
DTXSID10314726
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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