Basic information
- CAS
89978-87-0- Standard SMILES
N#CC1(Cl)CC2CC1C1OC21- InChIKey
MWHLSWVUCYUGOS-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO
- Average molar mass
- 169.61 g/mol
- Monoisotopic mass
- 169.0294416
Names & identifiers
- Preferred name
- 6-Chloro-3-oxatricyclo[3.2.1.0~2,4~]octane-6-carbonitrile
- IUPAC
- 6-chloro-3-oxatricyclo[3.2.1.02,4]octane-6-carbonitrile
Names & synonyms
89978-87-0NSC52589DTXSID002878146-Chloro-3-oxatricyclo[3.2.1.0~2,4~]octane-6-carbonitrileNSC-52589
Database identifiers
- CAS
89978-87-0- PubChem CID
- 243236
- DTXSID
DTXSID00287814
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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