Basic information
- CAS
62373-81-3- Standard SMILES
N#CC1C2C=CC(CC2)C1c1ccccc1Cl- InChIKey
UEKCKUKRNJWUPM-UHFFFAOYSA-N- Molecular formula
- C15H14ClN
- Average molar mass
- 243.73 g/mol
- Monoisotopic mass
- 243.0814771
Names & identifiers
- Preferred name
- 3-(2-Chlorophenyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrile
- IUPAC
- 3-(2-chlorophenyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrile
Names & synonyms
62373-81-33-(2-Chlorophenyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrileSCHEMBL10734074DTXSID90603160
Database identifiers
- CAS
62373-81-3- PubChem CID
- 20161613
- DTXSID
DTXSID90603160
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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