3-(2-Chloro-4-methyl-6-oxocyclohexen-1-yl)propanenitrile
Basic information
- CAS
42747-36-4- Standard SMILES
CC1CC(=O)C(CCC#N)=C(Cl)C1- InChIKey
QUNJGNZZVCWAIQ-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO
- Average molar mass
- 197.66 g/mol
- Monoisotopic mass
- 197.0607417
Names & identifiers
- Preferred name
- 3-(2-Chloro-4-methyl-6-oxocyclohexen-1-yl)propanenitrile
- IUPAC
- 3-(2-chloro-4-methyl-6-oxocyclohexen-1-yl)propanenitrile
Names & synonyms
3-(2-chloro-4-methyl-6-oxocyclohexen-1-yl)propanenitrile42747-36-4DTXSID40311889RefChem:273606DTXCID60263013NSC246192NSC-2461923-(2-chloro-4-methyl-6-oxo-1-cyclohexenyl)-propionitrile3-(2-CHLORO-4-METHYL-6-OXOCYCLOHEX-1-EN-1-YL)PROPANENITRILE
Database identifiers
- CAS
42747-36-4- PubChem CID
- 317059
- DTXSID
DTXSID40311889
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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