Basic information
- Standard SMILES
COc1cc2scc(C(=O)O)c2cc1Br- InChIKey
DVGTXIKZPBGIMP-UHFFFAOYSA-N- Molecular formula
- C10H7BrO3S
- Average molar mass
- 287.13 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-6-methoxybenzo[b]thiophene-3-carboxylic acid
- IUPAC
- 5-bromo-6-methoxy-1-benzothiophene-3-carboxylic acid
Names & synonyms
5-Bromo-6-methoxybenzo[b]thiophene-3-carboxylic acidSCHEMBL8431527DVGTXIKZPBGIMP-UHFFFAOYSA-NDB-398260177360-05-3
Database identifiers
- PubChem CID
- 53781029
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Related reactions
4 records
Compound notes
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