6-(2-Iodophenyl)-3-hexanone
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Basic information
- Standard SMILES
CCC(=O)CCCc1ccccc1I- InChIKey
QOQYJGMBUYJXBC-UHFFFAOYSA-N- Molecular formula
- C12H15IO
- Average molar mass
- 302.15 g/mol
- Monoisotopic mass
- 302.01676
Names & identifiers
- Preferred name
- 6-(2-Iodophenyl)-3-hexanone
- IUPAC
- 6-(2-iodophenyl)hexan-3-one
Names & synonyms
SCHEMBL8089746-(2-Iodophenyl)-3-hexanoneQOQYJGMBUYJXBC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 11623608
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
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Related reactions
3 records
Compound notes
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