Basic information
- Standard SMILES
COc1ccc(Br)cc1CCc1sccc1C(=O)O- InChIKey
HMWDIDUIFHMXNV-UHFFFAOYSA-N- Molecular formula
- C14H13BrO3S
- Average molar mass
- 341.22 g/mol
Names & identifiers
- Preferred name
- 2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-thiophene-3-carboxylic acid
- IUPAC
- 2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid
Names & synonyms
SCHEMBL3090264HMWDIDUIFHMXNV-UHFFFAOYSA-N2-[2-(5-bromo-2-methoxy-phenyl)-ethyl]-thiophene-3-carboxylic acid
Database identifiers
- PubChem CID
- 59700975
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
3 records
Compound notes
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