Basic information
- CAS
66073-49-2- Standard SMILES
Cl.O=C(Cl)C1CC2CCN1CC2- InChIKey
OEIIDLJWURHUJC-UHFFFAOYSA-N- Molecular formula
- C8H13Cl2NO
- Average molar mass
- 210.1 g/mol
- Monoisotopic mass
- 209.0374194
Names & identifiers
- Preferred name
- 1-Azabicyclo[2.2.2]octane-2-carbonyl chloride;hydrochloride
- IUPAC
- 1-azabicyclo[2.2.2]octane-2-carbonyl chloride;hydrochloride
Names & synonyms
66073-49-2SCHEMBL6990898DTXSID504809191-Azabicyclo[2.2.2]octane-2-carbonyl chloride--hydrogen chloride (1/1)
Database identifiers
- CAS
66073-49-2- PubChem CID
- 12216971
- DTXSID
DTXSID50480919
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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