4-Chloro-6-[(propylamino)methylidene]cyclohexa-2,4-dien-1-one--nickel (2/1)
Basic information
- CAS
5169-99-3- Standard SMILES
CCCN=Cc1cc(Cl)ccc1O.CCCN=Cc1cc(Cl)ccc1O.[Ni]- InChIKey
VHRDPFUTXVOMSH-UHFFFAOYSA-N- Molecular formula
- C20H24Cl2N2NiO2
- Average molar mass
- 454 g/mol
- Monoisotopic mass
- 452.056825
Names & identifiers
- Preferred name
- 4-Chloro-6-[(propylamino)methylidene]cyclohexa-2,4-dien-1-one--nickel (2/1)
- IUPAC
- bis(4-chloro-2-(propyliminomethyl)phenol);nickel
Names & synonyms
5169-99-3DTXSID204257164-Chloro-6-[(propylamino)methylidene]cyclohexa-2,4-dien-1-one--nickel (2/1)
Database identifiers
- CAS
5169-99-3- PubChem CID
- 136042004
Properties
Computed structural properties
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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