Basic information
- Standard SMILES
COC(=O)c1sc2ccccc2c1OCCl- InChIKey
LWUWAQQBJKZFCT-UHFFFAOYSA-N- Molecular formula
- C11H9ClO3S
- Average molar mass
- 256.71 g/mol
- Monoisotopic mass
- 255.996093
Names & identifiers
- Preferred name
- Methyl 3-chloromethoxy-benzo[b]thiophene-2-carboxylate
- IUPAC
- methyl 3-(chloromethoxy)-1-benzothiophene-2-carboxylate
Names & synonyms
SCHEMBL8913166LWUWAQQBJKZFCT-UHFFFAOYSA-Nmethyl 3-chloromethoxy-benzo[b]thiophene-2-carboxylate
Database identifiers
- PubChem CID
- 19966841
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Related reactions
1 records
Compound notes
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