Basic information
- CAS
60848-29-5- Standard SMILES
O=C1NN=C2CCCCCCCCCCC12Cl- InChIKey
NLMOUUKELCMCGQ-UHFFFAOYSA-N- Molecular formula
- C13H21ClN2O
- Average molar mass
- 256.77 g/mol
- Monoisotopic mass
- 256.134241
Names & identifiers
- Preferred name
- 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one
- IUPAC
- 3a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-one
Names & synonyms
60848-29-5NSC3053503a-chloro-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrazol-3-oneDTXSID20316635NSC-3053503a-Chloro-2,3a,4,5,6,7,8,9,10,11,12,13-dodecahydro-3H-cyclododeca[c]pyrazol-3-one
Database identifiers
- CAS
60848-29-5- PubChem CID
- 328029
- DTXSID
DTXSID20316635
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…