Basic information
- CAS
62198-08-7- Standard SMILES
N#CC1(Cl)CC2(C#N)CCC12C#N- InChIKey
WWWBFXMRLIMIAU-UHFFFAOYSA-N- Molecular formula
- C9H6ClN3
- Average molar mass
- 191.62 g/mol
- Monoisotopic mass
- 191.0250249
Names & identifiers
- Preferred name
- 2-Chlorobicyclo[2.2.0]hexane-1,2,4-tricarbonitrile
- IUPAC
- 2-chlorobicyclo[2.2.0]hexane-1,2,4-tricarbonitrile
Names & synonyms
62198-08-72-chlorobicyclo[2.2.0]hexane-1,2,4-tricarbonitrileBicyclo[2.2.0]hexane-1,2,4-tricarbonitrile, 2-chloro-DTXSID101214825
Database identifiers
- CAS
62198-08-7- PubChem CID
- 12374571
- DTXSID
DTXSID101214825
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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