Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]-
Basic information
- CAS
62584-74-1- Standard SMILES
N#Cc1ccc(CCC(=O)c2ccc(Cl)cc2)cc1- InChIKey
RGFXXOQNQDNBMH-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO
- Average molar mass
- 269.72 g/mol
- Monoisotopic mass
- 269.0607417
Names & identifiers
- Preferred name
- Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]-
- IUPAC
- 4-[3-(4-chlorophenyl)-3-oxopropyl]benzonitrile
Names & synonyms
4-[3-(4-chlorophenyl)-3-oxopropyl]benzonitrileBenzonitrile, 4-[3-(4-chlorophenyl)-3-oxopropyl]-62584-74-1DTXSID50368465AKOS001042223
Database identifiers
- CAS
62584-74-1- PubChem CID
- 2393752
- DTXSID
DTXSID50368465- Nikkaji
- J3.183.408B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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