Basic information
- Standard SMILES
CCCC(=O)c1cc2c(Cl)cccc2s1- InChIKey
JBGIVVIQYOGLIB-UHFFFAOYSA-N- Molecular formula
- C12H11ClOS
- Average molar mass
- 238.73 g/mol
Names & identifiers
- Preferred name
- 1-(4-Chlorobenzo[b]thiophen-2-yl)butan-1-one
- IUPAC
- 1-(4-chloro-1-benzothiophen-2-yl)butan-1-one
Names & synonyms
SCHEMBL6336621JBGIVVIQYOGLIB-UHFFFAOYSA-N1-(4-chlorobenzo[b]thiophen-2-yl)butan-1-one
Database identifiers
- PubChem CID
- 22473690
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Related reactions
4 records
Compound notes
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