Basic information
- CAS
6328-62-7- Standard SMILES
CC(CC(=O)CC(=O)c1ccccc1)=Nc1ccc(Cl)cc1- InChIKey
REGQHMXYKZEPGI-UHFFFAOYSA-N- Molecular formula
- C18H16ClNO2
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 313.0869564
Names & identifiers
- Preferred name
- (5e)-5-[(4-Chlorophenyl)imino]-1-phenylhexane-1,3-dione
- IUPAC
- 5-(4-chlorophenyl)imino-1-phenylhexane-1,3-dione
Names & synonyms
6328-62-7(5e)-5-[(4-chlorophenyl)imino]-1-phenylhexane-1,3-dioneNSC43834DTXSID40286109NSC-43834
Database identifiers
- CAS
6328-62-7- PubChem CID
- 239057
- DTXSID
DTXSID40286109
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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