1-(4-Chlorophenyl)-3-(thiophen-2-yl)propane-1,3-dione
Basic information
- CAS
41467-45-2- Standard SMILES
O=C(CC(=O)c1cccs1)c1ccc(Cl)cc1- InChIKey
BJMWDHWZJBOIKW-UHFFFAOYSA-N- Molecular formula
- C13H9ClO2S
- Average molar mass
- 264.73 g/mol
- Monoisotopic mass
- 264.0011784
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-(thiophen-2-yl)propane-1,3-dione
- IUPAC
- 1-(4-chlorophenyl)-3-thiophen-2-ylpropane-1,3-dione
Names & synonyms
41467-45-21-(4-chlorophenyl)-3-(thiophen-2-yl)propane-1,3-dioneNSC80381SCHEMBL7200564DTXSID10292116NSC-80381DS-0080561-(4-chlorophenyl)-3-thiophen-2-yl-propane-1,3-dione
Database identifiers
- CAS
41467-45-2- PubChem CID
- 255129
- DTXSID
DTXSID10292116
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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