1-(3-Acetyl-5-iodophenyl)ethanone
Basic information
- CAS
87533-53-7- Standard SMILES
CC(=O)c1cc(I)cc(C(C)=O)c1- InChIKey
OPFGOFIVPAFQMJ-UHFFFAOYSA-N- Molecular formula
- C10H9IO2
- Average molar mass
- 288.08 g/mol
- Monoisotopic mass
- 287.96473
Names & identifiers
- Preferred name
- 1-(3-Acetyl-5-iodophenyl)ethanone
- IUPAC
- 1-(3-acetyl-5-iodophenyl)ethanone
Names & synonyms
87533-53-71-(3-ACETYL-5-IODOPHENYL)ETHANONESCHEMBL13307545DTXSID80563441AB777811,1'-(5-Iodo-1,3-phenylene)di(ethan-1-one)
Database identifiers
- CAS
87533-53-7- PubChem CID
- 14737784
- DTXSID
DTXSID80563441
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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