Basic information
- CAS
122654-09-5- Standard SMILES
CCCCc1ccc(C(=O)CBr)s1- InChIKey
SJOGXNXSRKGJIP-UHFFFAOYSA-N- Molecular formula
- C10H13BrOS
- Average molar mass
- 261.18 g/mol
- Monoisotopic mass
- 259.98705
Names & identifiers
- Preferred name
- 2-Bromo-1-(5-butyl-2-thienyl)ethanone
- IUPAC
- 2-bromo-1-(5-butylthiophen-2-yl)ethanone
Names & synonyms
DTXSID8012872652-Bromo-1-(5-butyl-2-thienyl)ethanone122654-09-52-Bromo-1-(5-butylthiophen-2-yl)ethan-1-one
Database identifiers
- CAS
122654-09-5- PubChem CID
- 85598745
- DTXSID
DTXSID801287265
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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