Basic information
- CAS
60121-60-0- Standard SMILES
O=C(CC(=O)c1ccccc1Cl)c1ccccc1O- InChIKey
LHPUZLSWSLSCEQ-UHFFFAOYSA-N- Molecular formula
- C15H11ClO3
- Average molar mass
- 274.7 g/mol
- Monoisotopic mass
- 274.0396719
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
- IUPAC
- 1-(2-chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
Names & synonyms
1-(2-chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione60121-60-01,3-Propanedione, 1-(2-chlorophenyl)-3-(2-hydroxyphenyl)-Cambridge id 5470157Oprea1_281498SCHEMBL31582272DTXSID50353154AKOS001578264AB00086084-01SR-01000394876SR-01000394876-1
Database identifiers
- CAS
60121-60-0- PubChem CID
- 736982
- DTXSID
DTXSID50353154- Nikkaji
- J1.276.006J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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