Basic information
- Standard SMILES
COC(=O)c1cc2cc(OCCCl)ccc2s1- InChIKey
AVHDXPLAEQZFBG-UHFFFAOYSA-N- Molecular formula
- C12H11ClO3S
- Average molar mass
- 270.73 g/mol
Names & identifiers
- Preferred name
- 5-(2-Chloroethoxy)benzo[b]thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-(2-chloroethoxy)-1-benzothiophene-2-carboxylate
Names & synonyms
SCHEMBL10949789AVHDXPLAEQZFBG-UHFFFAOYSA-N5-(2-chloroethoxy)benzo[b]-thiophene-2-carboxylic acid methyl ester5-(2-Chloroethoxy)benzo[b]thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 13663000
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Related reactions
6 records
Compound notes
Loading…