Basic information
- Standard SMILES
CC(=O)CC(=O)c1ccc(I)cc1- InChIKey
DOLQXAYVXVVCEZ-UHFFFAOYSA-N- Molecular formula
- C10H9IO2
- Average molar mass
- 288.08 g/mol
Names & identifiers
- Preferred name
- 1-(4-Iodophenyl)butane-1,3-dione
- IUPAC
- 1-(4-iodophenyl)butane-1,3-dione
Names & synonyms
1-(4-iodophenyl)butane-1,3-dione54454-25-0SCHEMBL3860105DOLQXAYVXVVCEZ-UHFFFAOYSA-N1-(4-iodophenyl)-butane-1,3-dioneEN300-1126174
Database identifiers
- PubChem CID
- 10859151
- Nikkaji
- J1.711.048I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Related reactions
1 records
Compound notes
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