1-(5-Bromothiophen-2-yl)-2-hydroxy-2-methylpropan-1-one
Basic information
- CAS
821789-55-3- Standard SMILES
CC(C)(O)C(=O)c1ccc(Br)s1- InChIKey
NDJOUMJHWPEKBY-UHFFFAOYSA-N- Molecular formula
- C8H9BrO2S
- Average molar mass
- 249.13 g/mol
- Monoisotopic mass
- 247.95066
Names & identifiers
- Preferred name
- 1-(5-Bromothiophen-2-yl)-2-hydroxy-2-methylpropan-1-one
- IUPAC
- 1-(5-bromothiophen-2-yl)-2-hydroxy-2-methylpropan-1-one
Names & synonyms
1-(5-bromothiophen-2-yl)-2-hydroxy-2-methylpropan-1-one821789-55-3SCHEMBL5469523DTXSID40437255NDJOUMJHWPEKBY-UHFFFAOYSA-N
Database identifiers
- CAS
821789-55-3- PubChem CID
- 10243767
- DTXSID
DTXSID40437255
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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