Basic information
- CAS
33649-79-5- Standard SMILES
ClC1CC2CCC1CC2- InChIKey
PTVXDQZENDCNDA-UHFFFAOYSA-N- Molecular formula
- C8H13Cl
- Average molar mass
- 144.64 g/mol
- Monoisotopic mass
- 144.0705781
Names & identifiers
- Preferred name
- 2-Chlorobicyclo(2.2.2)octane
- IUPAC
- 2-chlorobicyclo[2.2.2]octane
- English name
- 2-Chlorobicyclo[2.2.2]octane
- Molecular formula
- C8H13Cl
- Molecular weight
- 144.64
Names & synonyms
2-Chlorobicyclo[2.2.2]octaneBicyclo[2.2.2]octane, 2-chloro-33649-79-5DTXSID503384212-Chlorobicyclo(2.2.2)octaneBicyclo(2.2.2)octane, 2-chloro-RefChem:259468DTXCID10289506PTVXDQZENDCNDA-UHFFFAOYSA-NSCHEMBL6701962SCHEMBL18168255
Database identifiers
- CAS
33649-79-5- PubChem CID
- 549019
- DTXSID
DTXSID50338421- Nikkaji
- J101.356D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 198.5 · 198.5±9.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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