Basic information
- Standard SMILES
COC(=O)CCc1sc2ccccc2c1Cl- InChIKey
SZEWMFFRHZYMBG-UHFFFAOYSA-N- Molecular formula
- C12H11ClO2S
- Average molar mass
- 254.73 g/mol
Names & identifiers
- Preferred name
- 3-(3-Chloro-benzo[b]thiophen-2-yl)-propionic acid methyl ester
- IUPAC
- methyl 3-(3-chloro-1-benzothiophen-2-yl)propanoate
Names & synonyms
SCHEMBL660460SZEWMFFRHZYMBG-UHFFFAOYSA-N3-(3-Chloro-benzo[b]thiophen-2-yl)-propionic acid methyl ester
Database identifiers
- PubChem CID
- 66760751
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
9 records
Compound notes
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