Basic information
- CAS
113443-85-9- Standard SMILES
CC(=O)C(=Cc1cccc(Cl)c1)C(=O)c1ccccc1- InChIKey
FDWALFOBCKXYPC-UHFFFAOYSA-N- Molecular formula
- C17H13ClO2
- Average molar mass
- 284.7 g/mol
- Monoisotopic mass
- 284.0604073
Names & identifiers
- Preferred name
- 1,3-Butanedione, 2-[(3-chlorophenyl)methylene]-1-phenyl-
- IUPAC
- 2-[(3-chlorophenyl)methylidene]-1-phenylbutane-1,3-dione
Names & synonyms
113443-85-91,3-Butanedione, 2-[(3-chlorophenyl)methylene]-1-phenyl-2-[(3-chlorophenyl)methylidene]-1-phenylbutane-1,3-dioneDTXSID60327200
Database identifiers
- CAS
113443-85-9- PubChem CID
- 367335
- DTXSID
DTXSID60327200
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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