Basic information
- CAS
30866-56-9- Standard SMILES
O=C(CC(=O)c1ccccc1)CC(=O)c1ccccc1Cl- InChIKey
NECJZFQJCVKVEE-UHFFFAOYSA-N- Molecular formula
- C17H13ClO3
- Average molar mass
- 300.7 g/mol
- Monoisotopic mass
- 300.055322
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-5-phenylpentane-1,3,5-trione
- IUPAC
- 1-(2-chlorophenyl)-5-phenylpentane-1,3,5-trione
Names & synonyms
30866-56-91-(2-chlorophenyl)-5-phenylpentane-1,3,5-trioneNSC85714DTXSID90953051NSC-85714
Database identifiers
- CAS
30866-56-9- PubChem CID
- 257578
- DTXSID
DTXSID90953051
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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