Heptan-2-one, 3,3-dibromo-1-iodo-
Basic information
- CAS
54899-97-7- Standard SMILES
CCCCC(Br)(Br)C(=O)CI- InChIKey
JJBPIIXVRZGUKZ-UHFFFAOYSA-N- Molecular formula
- C7H11Br2IO
- Average molar mass
- 397.87 g/mol
- Monoisotopic mass
- 395.82214
Overview
Heptan-2-one, 3,3-dibromo-1-iodo- has been reported in Bonnemaisonia hamifera with data available.
Names & identifiers
- Preferred name
- Heptan-2-one, 3,3-dibromo-1-iodo-
- IUPAC
- 3,3-dibromo-1-iodoheptan-2-one
- English name
- 3,3-Dibromo-1-iodo-2-heptanone
- Molecular formula
- C7H11Br2IO
- Molecular weight
- 397.87
Names & synonyms
Heptan-2-one, 3,3-dibromo-1-iodo-54899-97-73,3-dibromo-1-iodo-heptan-2-oneDTXSID50203387RefChem:145649DTXCID501258783,3-dibromo-1-iodoheptan-2-one3,3-Dibromo-1-iodo-2-heptanone1-iodo-3,3-dibromo-2-heptanoneDB-3147392-Heptanone, 3,3-dibromo-1-iodo-
Database identifiers
- CAS
54899-97-7- PubChem CID
- 185779
- DTXSID
DTXSID50203387- Nikkaji
- J89.918F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
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Related reactions
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Compound notes
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