Basic information
- Standard SMILES
Cc1cc(Cl)cc(C2(C#N)CCC2)c1- InChIKey
PPYYMCLXICLFEI-UHFFFAOYSA-N- Molecular formula
- C12H12ClN
- Average molar mass
- 205.68 g/mol
Names & identifiers
- Preferred name
- 1-(3-Chloro-5-methylphenyl)-1-cyclobutanecarbonitrile
- IUPAC
- 1-(3-chloro-5-methylphenyl)cyclobutane-1-carbonitrile
Names & synonyms
SCHEMBL2391PPYYMCLXICLFEI-UHFFFAOYSA-N1-(3-chloro-5-methylphenyl)-1-cyclobutanecarbonitrile
Database identifiers
- PubChem CID
- 21294830
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Related reactions
3 records
Compound notes
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