4-[2-(4-Chlorophenyl)-2-hydroxyethyl]benzonitrile
Basic information
- CAS
59483-80-6- Standard SMILES
N#Cc1ccc(CC(O)c2ccc(Cl)cc2)cc1- InChIKey
FNWCFUJZGBWRBT-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO
- Average molar mass
- 257.71 g/mol
- Monoisotopic mass
- 257.0607417
Names & identifiers
- Preferred name
- 4-[2-(4-Chlorophenyl)-2-hydroxyethyl]benzonitrile
- IUPAC
- 4-[2-(4-chlorophenyl)-2-hydroxyethyl]benzonitrile
Names & synonyms
59483-80-64-[2-(4-chlorophenyl)-2-hydroxyethyl]benzonitrileNSC278004DTXSID80313867NSC-278004
Database identifiers
- CAS
59483-80-6- PubChem CID
- 322100
- DTXSID
DTXSID80313867
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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