4-Iodo-3-(iodomethyl)-3-methylbutan-2-one
Basic information
- CAS
96285-25-5- Standard SMILES
CC(=O)C(C)(CI)CI- InChIKey
PEMNWFTUXPYTOY-UHFFFAOYSA-N- Molecular formula
- C6H10I2O
- Average molar mass
- 351.95 g/mol
- Monoisotopic mass
- 351.88211
Names & identifiers
- Preferred name
- 4-Iodo-3-(iodomethyl)-3-methylbutan-2-one
- IUPAC
- 4-iodo-3-(iodomethyl)-3-methylbutan-2-one
Names & synonyms
4-Iodo-3-(iodomethyl)-3-methylbutan-2-one96285-25-5DTXSID40540758
Database identifiers
- CAS
96285-25-5- PubChem CID
- 13435563
- DTXSID
DTXSID40540758
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 108
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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